rifampicin

Ligand Id: 2765
Ligand name rifampicin

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 6
Rotatable bonds 5
Topological polar surface area 220.15
Molecular weight 822.41
XLogP 1.96
No. Lipinski's rules broken 2

Molecular properties generated using the CDK


Classification
Compound class Natural product or derivative
Approved drug? Yes (source: FDA (1971))
IUPAC Name
(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(E)-N-(4-methylpiperazin-1-yl)carboximidoyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25(29),26-octaen-13-yl acetate
International Nonproprietary Names
INN number INN
2323 rifampicin
Synonyms
rifampin
Database Links
CAS Registry No. 13292-46-1
ChEBI CHEBI:28077
ChEMBL Ligand CHEMBL374478
DrugBank Ligand DB01045
NURSA Ligand li11
PubChem CID 5381226
RCSB PDB Ligand RFP
Search Google for chemical match using the InChIKey JQXXHWHPUNPDRT-MJJHYSHBSA-N
Search Google for chemicals with the same backbone JQXXHWHPUNPDRT
Search PubMed clinical trials rifampicin
Search PubMed titles rifampicin
Search PubMed titles/abstracts rifampicin
Wikipedia Rifampicin