RG7112

Basic Information

CAS ID: 939981-39-2
Molecular Formula: C38H48Cl2N4O4S
Molecular Weight: 727.8 g/mol
Monoisotopic Mass: 726.2773 g/mol
Class: Small Molecule
Natural Product: No
Other Names:
Analysis: Drug repositioning mechanism analysis

O N Cl N O N N S O O Cl

Compound Structure and Identifier

InChI: InChI=1S/C38H48Cl2N4O4S/c1-8-48-33-26-29(36(2,3)4)14-19-32(33)34-41-37(5,27-10-15-30(39)16-11-27)38(6,28-12-17-31(40)18-13-28)44(34)35(45)43-23-21-42(22-24-43)20-9-25-49(7,46)47/h10-19,26H,8-9,20-25H2,1-7H3/t37-,38+/m0/s1 See All
InChI Key: QBGKPEROWUKSBK-QPPIDDCLSA-N
Smiles: CCOc1cc(ccc1C2=N[C@@](C)(c3ccc(Cl)cc3)[C@](C)(N2C(=O)N4CCN(CCCS(=O)(=O)C)CC4)c5ccc(Cl)cc5)C(C)(C)C See All
Molfile: Download

Related Target

Target ID Name Interaction
T0613 Cellular tumor antigen p53 agonist

Related Fibrosis Property

Reference Record 1

PubMed ID 29211796 Target ID T0613
Uniprot ID Cellular tumor antigen p53 Name Cellular tumor antigen p53
Model vitro,mice Fibrosis Disease Pancreatic fibrosis
Process I
Process II cells activation,cells proliferation,cell migration
Process III prevenet collagen deposition
Mechanism

Related Link

PubChem: 57406853
ChEMBL: CHEMBL2386346