BQ-788

Basic Information


CAS ID: 156161-89-6
Molecular Formula: C34H50N5NaO7
Molecular Weight: 663.8 g/mol
Monoisotopic Mass: 663.361 g/mol
Class: Peptide
Natural Product: No
Other Names:
Analysis: Drug repositioning mechanism analysis

O O- NH O N O O NH O NH O N Na+


Compound Structure and Identifier


InChI: InChI=1S/C34H51N5O7.Na/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3;/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43);/q;+1/p-1/t21-,22+,25-,26-,27+;/m1./s1 See All
InChI Key: QCVIFBRTTLMEOV-FUKQNADPSA-M
Smiles: CCCCC(C(=O)[O-])NC(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)OC)NC(=O)C(CC(C)(C)C)NC(=O)N3C(CCCC3C)C.[Na+] See All
Molfile: Download


Related Target


Target ID Name Interaction
T0124 Endothelin B receptor inhibitor

Related Fibrosis Property


Reference Record 1

PubMed ID 21730058 Target ID T0124
Uniprot ID Endothelin B receptor Name Endothelin B receptor
Model vitro Fibrosis Disease Cardiac fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism

Related Link


PubChem: 16759603
ChEMBL: CHEMBL1515091