Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0C9BH
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| Former ID |
DNC003405
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| Drug Name |
Clorobiocin
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| Synonyms |
Clorobiocin; Chlorobiocin; Antibiotic RP 18,631; NSC 227186; RP 18631; 18631 RP; 39868-96-7; CHEMBL303984; 1H-Pyrrole-2-carboxylic acid, 5-methyl-, 3'-ester with N-(8-chloro-7-((6-deoxy-5-C-methyl-4-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl)benzamide; [(3R,4S,5R,6S)-6-[8-chloro-4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-2-oxo-chromen-7-yl]oxy-5-hydroxy-3-methoxy-2,2-dimethyl-tetrahydropyran-4-yl] 5-methyl-1H-pyrrole-2-carboxylate
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C35H37ClN2O11
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| Canonical SMILES |
CC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(=C(C(=O)O4)NC(=O)C5=CC(=C(C=C5)O)CC=C(C)C)O)Cl)O
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| InChI |
1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1
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| InChIKey |
FJAQNRBDVKIIKK-LFLQOBSNSA-N
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| CAS Number |
CAS 39868-96-7
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | DNA topoisomerase II (TOP2) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The high-resolution crystal structure of a 24-kDa gyrase B fragment from E.coli complexed with one of the most potent coumarin inhibitors, clorobiocin. Proteins. 1997 May;28(1):41-52. | |||
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