Details of the Drug

General Information of Drug (ID: DMC5VLK)

• Drug Name: Pulvomycin
• Synonyms: Pulvomycin; AC1NQZFA; C12070; 11006-66-9; CHEBI:29668

Indication

Disease Entry	ICD 11	Status	REF
Bacterial infection	1A00-1C4Z	Investigative	[1]

• Drug Type: Small molecular drug
• Chemical Identifiers:
  Formula: C47H66O13
  Canonical SMILES: CC1C(C(C(C(O1)OC(C)C(C=CC=CC=CC(=O)C(C)C(C(C)C2CC=CC=CC=CC(C(=O)C(=CC=CC(=CC(C(=CCC(=O)O2)C)O)C)C)O)O)O)OC)O)OC
  InChI: InChI=1S/C47H66O13/c1-29-20-19-21-31(3)42(53)38(50)24-17-11-10-12-18-25-40(60-41(52)27-26-30(2)39(51)28-29)33(5)43(54)32(4)36(48)22-15-13-14-16-23-37(49)34(6)58-47-46(57-9)44(55)45(56-8)35(7)59-47/h10-24,26,28,32-35,37-40,43-47,49-51,54-55H,25,27H2,1-9H3/b11-10+,14-13+,18-12+,20-19+,22-15+,23-16+,24-17+,29-28+,30-26-,31-21+/t32?,33?,34?,35-,37?,38?,39?,40?,43?,44+,45+,46-,47-/m1/s1
  InChIKey: FXSFWUNCIOIMAC-YHQXOMPPSA-N
• Cross-matching ID:
  PubChem CID: 5282056
  ChEBI ID: CHEMBL29668
  TTD ID: D00YCO

References

• [1] The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.