Compound: Cilofungin
SMILES: O=C1N2[C@H](C(=O)N[C@H](O)[C@H](O)C[C@H](NC(=O)c3ccc(OCCCCCCCC)cc3)C(=O)N[C@H](C(N4[C@H](C(N[C@H](C(N[C@H]1[C@H](O)C)=O)[C@H](O)[C@@H](O)c5ccc(O)cc5)=O)C[C@@H](O)C4)=O)[C@H](O)C)[C@@H](O)[C@H](C2)C
InChIKey: ZKZKCEAHVFVZDJ-MTUMARHDSA-N
Synonyms: Cilofungin, Cilofungina, Cilofunginum, cilofungine, 79404-91-4, LY121019, LY-121019, ANTIBIOTIC LY-121019, 8ZJC54A39X, L-646991, CHEBI:315019, DTXSID901027438, Echinocandin B, 1-((4R,5R)-4,5-dihydroxy-N2-(4-(octyloxy)benzoyl)-L-ornithine)-, 1-((4R,5R)-4,5-DIHYDROXY-N2-(P-(OCTYLOXY)BENZOYL)-L-ORNITHINE)ECHINOCANDIN B, RefChem:126144, DTXCID001511606, L-646,991, 5.1:6-anhydro((4R,5R)-4,5-dihydroxy-N(2)-(4-(octyloxy)benzoyl)-L-ornithyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-L-threonyl-(3S,4S)-3-hydroxy-4-methyl-L-proline);N-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6,20-bis((1R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo(2,1-c:2',1'-l)(1,4,7,10,13,16)hexaazacyclohenicosin-9-yl)-4-(octyloxy)benzamide, LY 121019, N-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-4-(octyloxy)benzamide, N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-octoxybenzamide, 5.1:6-anhydro{(4R,5R)-4,5-dihydroxy-N(2)-[4-(octyloxy)benzoyl]-L-ornithyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-L-threonyl-(3S,4S)-3-hydroxy-4-methyl-L-proline}, Cilofungin [USAN:INN], Cilofunginum [INN-Latin], Antibiotic LY 121019, Cilofungina [INN-Spanish], UNII-8ZJC54A39X, CILOFUNGIN [INN], CILOFUNGIN [USAN], CILOFUNGIN [MART.], CHEMBL2103748, SCHEMBL16557358, ZKZKCEAHVFVZDJ-MTUMARHDSA-N, GLXC-10234, 1-((4R,5R)-4,5-Dihydroxy-N(sup 2)-(p-(octyloxy)benzoyl)-L-ornithine)echinocandin B, (4R,5R)-4,5-Dihydroxy-N(sup 2)-(p-(octyloxy)benzoyl)-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-L-threonyl-(3S,4S)-3-hydroxy-4-methyl-L-proline cyclic (6->1)-peptide, HY-105267, CS-0025550, Q908879, Echinocandin B, 1-((4R,5R)-4,5-dihydroxy-N(sup 2)-(4-(octyloxy)benzoyl)-L-ornithine)-, (4R,5R)-4,5-Dihydroxy-N(sup 2)-(p-(octyloxy)benzoyl)-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-L-threonyl-(3S,4S)-3-hydroxy-4-methyl-L-proline cyclic (6-1)-peptide, (4R,5R)-4,5-DIHYDROXY-N2-(P-(OCTYLOXY)BENZOYL)-L-ORNITHYL-L-THREONYL-TRANS-4-HYDROXY-L-PROLYL-(S)-4-HYDROXY-4-(P-HYDROXYPHENYL)-L-THREONYL-L-THREONYL-(3S,4S)-3-HYDROXY-4-METHYL-L-PROLINE CYCLIC (6->1)-PEPTIDE, L-PROLINE, (4R,5R)-4,5-DIHYDROXY-N2-(4-(OCTYLOXY)BENZOYL)-L-ORNITHYL-L-THREONYL-TRANS-4-HYDROXY-L-PROLYL-(S)-4-HYDROXY-4-(4-HYDROXYPHENYL)-L-THREONYL-L-THREONYL-3-HYDROXY-4-METHYL-, CYCLIC (6->1)-PEPTIDE, (2.ALPHA.,3.BETA.,4.BETA.)-
Theoretical properties:
molecular_formula: C49H71N7O17
molecular_weight: 1030.1 g/mol
exact_mass: 1029.49064382 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 14
hydrogen_bond_acceptor_count: 17
rotatable_bond_count: 15
heavy_atom_count: 73
topological_polar_surface_area: 377 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Cilofungin is a cyclic hexapeptide echinocandin antibiotic isolated from Aspergillus spp. By inhibiting the conversion of lanosterol to ergosterol, it invades a fungus' ability to synthesize cell walls. A modified form of echinocandin B, it is an antimycotic agent against Candida albicans. It has a role as an antiinfective agent. It is an echinocandin and an antibiotic antifungal drug.
chebi: A cyclic hexapeptide echinocandin antibiotic isolated from <em>Aspergillus</em> spp. By inhibiting the conversion of lanosterol to ergosterol, it invades a fungus' ability to synthesize cell walls. A modified form of echinocandin B, it is an antimycotic agent against <em>Candida albicans</em>.
chembl: CILOFUNGIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Cilofungin (INN) is the first clinically applied member of the echinocandin family of antifungal drugs. It was derived from a fungus in the genus Aspergillus. It accomplishes this by interfering with an invading fungus' ability to synthesize the cell wall (specifically, it inhibits the synthesis of (1→3)-β-D-glucan).