SSR240612

Basic Information

CAS ID: 464930-42-5
Molecular Formula: C42H53ClN4O7S
Molecular Weight: 757 g/mol
Monoisotopic Mass: 756.3557 g/mol
Class: Small Molecule
Natural Product: No
Other Names:
Analysis: Drug repositioning mechanism analysis

HCl O S O O NH O NH N O N O O

Compound Structure and Identifier

InChI: InChI=1S/C42H52N4O7S.ClH/c1-27(2)45(5)42(48)38(20-30-10-12-31(13-11-30)25-46-28(3)8-7-9-29(46)4)43-41(47)24-37(34-16-19-39-40(23-34)53-26-52-39)44-54(49,50)36-18-15-32-21-35(51-6)17-14-33(32)22-36;/h10-19,21-23,27-29,37-38,44H,7-9,20,24-26H2,1-6H3,(H,43,47);1H/t28-,29+,37-,38-;/m1./s1 See All
InChI Key: GLHHFOSVBQQNAW-GDYXXZBVSA-N
Smiles: Cl.COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CC(=O)N[C@H](Cc3ccc(CN4[C@H](C)CCC[C@@H]4C)cc3)C(=O)N(C)C(C)C)c5ccc6OCOc6c5 See All
Molfile: Download

Related Target

Target ID Name Interaction
T0150 Bradykinin receptor B1 antagonist

Related Fibrosis Property

Reference Record 1

PubMed ID 18809736 Target ID T0150
Uniprot ID Bradykinin receptor B1 Name Bradykinin receptor B1
Model vitro,mice Fibrosis Disease Renal fibrosis
Process I attenue inflammation
Process II myofibroblasts accumulation
Process III prevenet collagen deposition
Mechanism

Related Link

PubChem: 44235958
ChEMBL: CHEMBL2018875