JTE-013

Basic Information

CAS ID: 383150-41-2
Molecular Formula: C17H19Cl2N7O
Molecular Weight: 408.3 g/mol
Monoisotopic Mass: 407.1028 g/mol
Class: Small Molecule
Natural Product: No
Other Names:
Analysis: Drug repositioning mechanism analysis

NH NH O NH Cl N Cl N N N

Compound Structure and Identifier

InChI: InChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27) See All
InChI Key: RNSLRQNDXRSASX-UHFFFAOYSA-N
Smiles: CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc3c1c(C)nn3C See All
Molfile: Download

Related Target

Target ID Name Interaction
T0137 Sphingosine 1-phosphate receptor 2 inhibitor

Related Fibrosis Property

Reference Record 1

PubMed ID 26534962 Target ID T0137
Uniprot ID Sphingosine 1-phosphate receptor 2 Name Sphingosine 1-phosphate receptor 2
Model vitro Fibrosis Disease Liver fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism

Reference Record 2

PubMed ID 28120434 Target ID T0137
Uniprot ID Sphingosine 1-phosphate receptor 2 Name Sphingosine 1-phosphate receptor 2
Model vitro,mice Fibrosis Disease Liver fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism Targeting NF-κB signaling

Related Link

PubChem: 10223146
ChEMBL: CHEMBL1368758