BQ-123

Basic Information

CAS ID: 136553-81-6
Molecular Formula: C31H42N6O7
Molecular Weight: 610.7 g/mol
Monoisotopic Mass: 610.311 g/mol
Class: Peptide
Natural Product: No
Other Names:
Analysis: Drug repositioning mechanism analysis

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

Compound Structure and Identifier

InChI: InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1 See All
InChI Key: VYCMAAOURFJIHD-PJNXIOHISA-N
Smiles: CC(C)CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C(C)C)CC(=O)O)CC3=CNC4=CC=CC=C43 See All
Molfile: Download

Related Target

Target ID Name Interaction
T0123 Endothelin-1 receptor inhibitor

Related Fibrosis Property

Reference Record 1

PubMed ID 21730058 Target ID T0123
Uniprot ID Endothelin-1 receptor Name Endothelin-1 receptor
Model vitro Fibrosis Disease Cardiac fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism

Related Link

PubChem: 443289
ChEMBL: CHEMBL314691