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NC(CO)(CO)CO.NC(CO)(CO)CO.Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1.O.O | Is it known whether this drug is taken orally? | No |
NC(CO)(CO)CO.NC(CO)(CO)CO.Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1.O.O | Determine the type of availability for this drug. | prescription only |
NC(CO)(CO)CO.NC(CO)(CO)CO.Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1.O.O | What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown. | Small molecule |
NC(CO)(CO)CO.NC(CO)(CO)CO.Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1.O.O | What is the calculated ALogP value for this compound? | 0.67 |
NC(CO)(CO)CO.NC(CO)(CO)CO.Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1.O.O | Is the drug administered in this specific form, such as a particular salt? | Yes |
NC(CO)(CO)CO.NC(CO)(CO)CO.Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1.O.O | Determine if this compound is a prodrug. | No |
NC(CO)(CO)CO.NC(CO)(CO)CO.Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1.O.O | Please provide a description of this drug's mechanism of action. | GAR transformylase inhibitor |
NC(CO)(CO)CO.NC(CO)(CO)CO.Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1.O.O | How many aromatic rings does this compound have? | 3 |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality. | An achiral molecule |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | Does this compound satisfy the rule-of-three criteria? | No |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)? | 3 |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts? | 0 |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | Is it known whether this drug is administered parenterally? | No |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | Is it known whether this drug is applied topically? | No |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | Which USAN substem can this drug or clinical candidate name be matched with? | -imod |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | Is this compound a small molecule polymer, such as polystyrene sulfonate? | No |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)? | 4 |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | Is this molecule characterized by a small molecular structure or a protein sequence? | It has a small molecule structure. |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | How many hydrogen bond donors does this compound have? | 3 |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms. | No |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown. | Approved |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | Is there a black box warning associated with this drug? | No |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | What is the molecular formula of this compound, including any salt that it may have? | C31H59NO6S |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | How many rotatable bonds does this compound have? | 12 |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target? | No |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | How many hydrogen bond acceptors does this compound have? | 3 |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications? | Yes |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | What is the calculated ALogP value for this compound? | 3.2 |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | Please provide a description of this drug's mechanism of action. | Sphingosine 1-phosphate receptor binding agent |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)? | No |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound? | 0 |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | How many aromatic rings does this compound have? | 1 |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | Determine the type of availability for this drug. | prescription only |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | What is the definition of this compound's USAN stem? | immunomodulators |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | Is this compound an acid, a base, or neutral? | BASE |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | Is it known whether this drug is taken orally? | Yes |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | Is the drug administered in this specific form, such as a particular salt? | Yes |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | Determine if this compound is a prodrug. | No |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | What is the molecular weight of this compound's parent molecule? | 307.48 |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown. | Small molecule |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | What is the first recorded year of approval for this drug? | 2021 |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | How many heavy (non-hydrogen) atoms does this compound have? | 22 |
CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | What is the polar surface area (PSA) value of this compound? | 66.48 |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality. | Single stereoisomer |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | Is it known whether this drug is applied topically? | No |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | Is this compound a small molecule polymer, such as polystyrene sulfonate? | No |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | What is the molecular formula of this compound, including any salt that it may have? | C52H74N16O15S2 |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | Is it known whether this drug is administered parenterally? | Yes |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms. | No |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown. | Approved |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | Please provide a description of this drug's mechanism of action. | Vasopressin V1 receptor binding agent |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | Is this molecule characterized by a small molecular structure or a protein sequence? | It has both. |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target? | No |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | What is the definition of this compound's USAN stem? | vasoconstrictors (vasopressin derivatives) |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | Is there a black box warning associated with this drug? | Yes |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications? | Yes |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)? | No |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | What is the first recorded year of approval for this drug? | 2022 |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | What is the molecular weight of this compound's parent molecule? | 1227.4 |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | Is it known whether this drug is taken orally? | No |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | Determine the type of availability for this drug. | prescription only |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | Is the drug administered in this specific form, such as a particular salt? | Yes |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | Determine if this compound is a prodrug. | No |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown. | Protein |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | Please provide a description of this drug's mechanism of action. | Vasopressin V2 receptor binding agent |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | Which USAN substem can this drug or clinical candidate name be matched with? | -pressin |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality. | An achiral molecule |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | Does this compound satisfy the rule-of-three criteria? | No |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts? | 0 |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | How many hydrogen bond acceptors does this compound have? | 4 |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | Is it known whether this drug is administered parenterally? | No |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | Is it known whether this drug is applied topically? | No |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | What is the definition of this compound's USAN stem? | antithelmintics (tibendazole type) |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | Is this compound a small molecule polymer, such as polystyrene sulfonate? | No |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | What is the calculated ALogP value for this compound? | 3.89 |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | What is the polar surface area (PSA) value of this compound? | 67.01 |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | Is this molecule characterized by a small molecular structure or a protein sequence? | It has a small molecule structure. |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | What is the molecular weight of this compound's parent molecule? | 299.36 |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms. | No |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | Which USAN substem can this drug or clinical candidate name be matched with? | -bendazole |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | Is there a black box warning associated with this drug? | No |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | Determine the type of availability for this drug. | unknown |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | How many rotatable bonds does this compound have? | 3 |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | How many heavy (non-hydrogen) atoms does this compound have? | 21 |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target? | No |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)? | 5 |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications? | Yes |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)? | No |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | How many hydrogen bond donors does this compound have? | 2 |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound? | 0 |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | Is it known whether this drug is taken orally? | No |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | Is the drug administered in this specific form, such as a particular salt? | No |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | Is this compound an acid, a base, or neutral? | NEUTRAL |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | Please provide a description of this drug's mechanism of action. | Tubulin beta chain |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | Determine if this compound is a prodrug. | No |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)? | 2 |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | What is the molecular formula of this compound, including any salt that it may have? | C15H13N3O2S |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown. | Small molecule |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown. | Clinical Phase unknown |
COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 | How many aromatic rings does this compound have? | 3 |