bedaquiline (sirturo) Report issue

Small molecule Orphan Drug FDA Approved FDA Fast Track FDA Accelerated Approval FDA Priority Review FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

Back

Chemistry

Mol. Mass

555.52

ALogP

7.13

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1nc2ccc(Br)cc2cc1[C@@H](c3ccccc3)[C@@](O)(CCN(C)C)c4cccc5ccccc45
  • InChIKey: QUIJNHUBAXPXFS-XLJNKUFUSA-N
    InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL376488   ChEMBL
bedaquiline *

CHEMBL2105700   ChEMBL
bedaquiline fumarate

78846I289Y   NCATS
bedaquiline *

Bedaquiline   Wikipedia

Feedback

Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

Report issue