Rifampicin

Basic Information

CAS ID: 13292-46-1
Molecular Formula: C43H58N4O12
Molecular Weight: 823 g/mol
Monoisotopic Mass: 822.4051 g/mol
Class: Small Molecule
Natural Product: No
Other Names: EREMFAT | L-5103 LEPETIT | BA 411661E | BA-41166E | RIFAMPICIN | L-5103 | RIFAMPIN | RIMACTANE | RIFADIN
Analysis: Drug repositioning mechanism analysis

O O O HO HO NH O OH OH O O N N N OH O

Compound Structure and Identifier

InChI: InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 See All
InChI Key: JQXXHWHPUNPDRT-WLSIYKJHSA-N
Smiles: CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C)c(\C=N\N5CCN(C)CC5)c(O)c4c3C2=O See All
Molfile: Download

Related Target

Target ID Name Interaction
T0527 Nuclear receptor subfamily 1 group I member 2 agonist

Related Fibrosis Property

Reference Record 1

PubMed ID 16831602 Target ID T0527
Uniprot ID Nuclear receptor subfamily 1 group I member 2 Name Nuclear receptor subfamily 1 group I member 2
Model vitro Fibrosis Disease Liver fibrosis
Process I
Process II HSCs proliferation,HSCs differentiation
Process III
Mechanism

Reference Record 2

PubMed ID 19432992 Target ID T0527
Uniprot ID Nuclear receptor subfamily 1 group I member 2 Name Nuclear receptor subfamily 1 group I member 2
Model vitro,rat Fibrosis Disease Liver fibrosis
Process I
Process II myofibroblasts differentiation
Process III
Mechanism

Trial Record 1

ClinicalTrial ID NCT02372383 Disease Cystic fibrosis
Phase Not Applicable Status Completed
First Received February 26, 2015 Last Verified July 26, 2016
Sponsor University of Colorado, Denver

Trial Record 2

ClinicalTrial ID NCT02547116 Disease Cystic fibrosis
Phase Phase 4 Status Suspended
First Received September 11, 2015 Last Verified August 16, 2018
Sponsor Johns Hopkins University

Trial Record 3

ClinicalTrial ID NCT01349192 Disease Cystic fibrosis
Phase Phase 2 Status Terminated
First Received May 6, 2011 Last Verified May 15, 2017
Sponsor University of North Carolina, Chapel Hill

Trial Record 4

ClinicalTrial ID NCT01768663 Disease Cystic fibrosis
Phase Phase 1 Status Completed
First Received January 15, 2013 Last Verified November 15, 2013
Sponsor Vertex Pharmaceuticals Incorporated

Trial Record 5

ClinicalTrial ID NCT01018368 Disease Cystic fibrosis
Phase Phase 1 Status Completed
First Received November 23, 2009 Last Verified May 10, 2010
Sponsor Vertex Pharmaceuticals Incorporated

Trial Record 6

ClinicalTrial ID NCT01594827 Disease Cystic fibrosis
Phase Phase 2 Status Completed
First Received May 9, 2012 Last Verified February 26, 2019
Sponsor Johns Hopkins University

Related Link

PubChem:
ChEMBL: CHEMBL374478