## Endpoint to Predict
- Endpoint scope: assay
- Measurement type: Activity
- Label type: binary
- Binary semantics: activity
- Assay description: Antiviral activity against Human poliovirus type 1 infected in Human HeLa cell assessed as inhibition of translation at 10 ug/ml by luciferase reporter gene assay
- Assay organism: Poliovirus 1
- Assay cell type: HeLa
- Target name: Poliovirus 1
- Target type: ORGANISM
- Target organism: Poliovirus 1

## Reference Molecule A
- Canonical SMILES: Cc1cn([C@H]2CN(P(=O)(OC[C@@H]3CN(P(=O)(OC[C@@H]4CN(P(=O)(OC[C@@H]5CN(P(=O)(OC[C@@H]6CNC[C@H](n7cnc8c(N)ncnc87)O6)N(C)C)C[C@H](n6cnc7c(N)ncnc76)O5)N(C)C)C[C@H](n5cc(C)c(=O)[nH]c5=O)O4)N(C)C)C[C@H](n4cc(C)c(=O)[nH]c4=O)O3)N(C)C)C[C@@H](COP(=O)(N(C)C)N3C[C@@H](COP(=O)(N(C)C)N4C[C@@H](COP(=O)(N(C)C)N5C[C@@H](COP(=O)(N(C)C)N6C[C@@H](COP(=O)(N(C)C)N7C[C@@H](COP(=O)(N(C)C)N8C[C@@H](COP(=O)(N(C)C)N9C[C@@H](COP(=O)(N(C)C)N%10C[C@@H](COP(=O)(N(C)C)N%11C[C@@H](COP(=O)(N(C)C)N%12C[C@@H](COP(=O)(N(C)C)N%13C[C@@H](COP(=O)(N(C)C)N%14C[C@@H](COP(=O)(N(C)C)N%15C[C@@H](COP(=O)(N(C)C)N%16C[C@@H](COP(=O)(N(C)C)N%17C[C@@H](COP(=O)(N(C)C)N%18C[C@@H](COP(=O)(N(C)C)N%19C[C@@H](COP(=O)(N(C)C)N%20C[C@@H](COP(=O)(N(C)C)N%21C[C@@H](COP(=O)(N(C)C)N%22CCN(C(=O)CCNC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@@H](N)CCCNC(=N)N)CC%22)O[C@@H](n%22cnc%23c(=O)[nH]c(N)nc%23%22)C%21)O[C@@H](n%21cnc%22c(=O)[nH]c(N)nc%22%21)C%20)O[C@@H](n%20cc(C)c(=O)[nH]c%20=O)C%19)O[C@@H](n%19cnc%20c(N)ncnc%20%19)C%18)O[C@@H](n%18ccc(N)nc%18=O)C%17)O[C@@H](n%17cnc%18c(N)ncnc%18%17)C%16)O[C@@H](n%16cnc%17c(N)ncnc%17%16)C%15)O[C@@H](n%15ccc(N)nc%15=O)C%14)O[C@@H](n%14ccc(N)nc%14=O)C%13)O[C@@H](n%13ccc(N)nc%13=O)C%12)O[C@@H](n%12ccc(N)nc%12=O)C%11)O[C@@H](n%11cc(C)c(=O)[nH]c%11=O)C%10)O[C@@H](n%10cnc%11c(=O)[nH]c(N)nc%11%10)C9)O[C@@H](n9cc(C)c(=O)[nH]c9=O)C8)O[C@@H](n8cnc9c(=O)[nH]c(N)nc98)C7)O[C@@H](n7ccc(N)nc7=O)C6)O[C@@H](n6cc(C)c(=O)[nH]c6=O)C5)O[C@@H](n5cnc6c(=O)[nH]c(N)nc65)C4)O[C@@H](n4cc(C)c(=O)[nH]c4=O)C3)O2)c(=O)[nH]c1=O
- Properties:
- ChEMBL ID: CHEMBL1631337
- Molecule type: Oligonucleotide
- Molecular weight: 9979.35
- Heavy atoms: 676
- Hydrogen bond donors: 68
- Hydrogen bond acceptors: 170
- TPSA: 3540.49
- LogP: -12.02
- Rotatable bonds: 224
- Ring count: 59
- Aromatic rings: 34
- Formal charge: 0
- Fraction Csp3: 0.65
- QED: 0.01

## Known Reference Result on This Endpoint
- Molecule A clean result: activity label = 0
- This result is provided as context for predicting Molecule B on the same endpoint.

## Reference Molecule A Other ChEMBL Evidence
- type Activity; comment Not Active

## Query Molecule B
- Canonical SMILES: Cc1cn([C@H]2CNC[C@@H](COP(=O)(N(C)C)N3C[C@@H](COP(=O)(N(C)C)N4C[C@@H](COP(=O)(N(C)C)N5C[C@@H](COP(=O)(N(C)C)N6C[C@@H](COP(=O)(N(C)C)N7C[C@@H](COP(=O)(N(C)C)N8C[C@@H](COP(=O)(N(C)C)N9C[C@@H](COP(=O)(N(C)C)N%10C[C@@H](COP(=O)(N(C)C)N%11C[C@@H](COP(=O)(N(C)C)N%12C[C@@H](COP(=O)(N(C)C)N%13C[C@@H](COP(=O)(N(C)C)N%14C[C@@H](COP(=O)(N(C)C)N%15C[C@@H](COP(=O)(N(C)C)N%16C[C@@H](COP(=O)(N(C)C)N%17C[C@@H](COP(=O)(N(C)C)N%18C[C@@H](COP(=O)(N(C)C)N%19C[C@@H](COP(=O)(N(C)C)N%20C[C@@H](COP(=O)(N(C)C)N%21C[C@@H](COP(=O)(N(C)C)N%22C[C@@H](COP(=O)(N(C)C)N%23CCN(C(=O)CCNC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@@H](N)CCCNC(=N)N)CC%23)O[C@@H](n%23cc(C)c(=O)[nH]c%23=O)C%22)O[C@@H](n%22cnc%23c(N)ncnc%23%22)C%21)O[C@@H](n%21ccc(N)nc%21=O)C%20)O[C@@H](n%20cnc%21c(=O)[nH]c(N)nc%21%20)C%19)O[C@@H](n%19cnc%20c(=O)[nH]c(N)nc%20%19)C%18)O[C@@H](n%18cc(C)c(=O)[nH]c%18=O)C%17)O[C@@H](n%17cnc%18c(=O)[nH]c(N)nc%18%17)C%16)O[C@@H](n%16cc(C)c(=O)[nH]c%16=O)C%15)O[C@@H](n%15cc(C)c(=O)[nH]c%15=O)C%14)O[C@@H](n%14cc(C)c(=O)[nH]c%14=O)C%13)O[C@@H](n%13cnc%14c(=O)[nH]c(N)nc%14%13)C%12)O[C@@H](n%12ccc(N)nc%12=O)C%11)O[C@@H](n%11cc(C)c(=O)[nH]c%11=O)C%10)O[C@@H](n%10ccc(N)nc%10=O)C9)O[C@@H](n9cc(C)c(=O)[nH]c9=O)C8)O[C@@H](n8cc(C)c(=O)[nH]c8=O)C7)O[C@@H](n7cnc8c(=O)[nH]c(N)nc87)C6)O[C@@H](n6cnc7c(N)ncnc76)C5)O[C@@H](n5cnc6c(N)ncnc65)C4)O[C@@H](n4ccc(N)nc4=O)C3)O2)c(=O)[nH]c1=O
- Properties:
- ChEMBL ID: CHEMBL1631341
- Molecule type: Oligonucleotide
- Molecular weight: 9000.5
- Heavy atoms: 610
- Hydrogen bond donors: 65
- Hydrogen bond acceptors: 149
- TPSA: 3208.26
- LogP: -12.34
- Rotatable bonds: 206
- Ring count: 51
- Aromatic rings: 29
- Formal charge: 0
- Fraction Csp3: 0.66
- QED: 0.01

## Molecule Similarity
- Weighted Tanimoto: 1

Answer: 0