Selumetinib

Basic Information

CAS ID: 606143-52-6
Molecular Formula: C17H15BrClFN4O3
Molecular Weight: 457.7 g/mol
Monoisotopic Mass: 456 g/mol
Class: Small Molecule
Natural Product: No
Other Names: ARRY-886 | SELUMETINIB SULFATE | SELUMETINIB | AZD6244 HYDROGEN SULFATE | AZD6244 HYD-SULFATE | ARRY-142886 | AZD-6244 | AZD6244
Analysis: Drug repositioning mechanism analysis

N N F NH Br Cl O NH O HO

Compound Structure and Identifier

InChI: InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26) See All
InChI Key: CYOHGALHFOKKQC-UHFFFAOYSA-N
Smiles: Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO See All
Molfile: Download

Related Target

Target ID Name Interaction
T0383 Dual specificity mitogen-activated protein kinase kinase 1 inhibitor
T0384 Dual specificity mitogen-activated protein kinase kinase 2 inhibitor

Related Fibrosis Property

Reference Record 1

PubMed ID 24475138 Target ID T0384
Uniprot ID Dual specificity mitogen-activated protein kinase kinase 2 Name Dual specificity mitogen-activated protein kinase kinase 2
Model mice Fibrosis Disease Pulmonary fibrosis
Process I
Process II cells proliferation
Process III prevenet collagen deposition
Mechanism

Reference Record 2

PubMed ID 24475138 Target ID T0383
Uniprot ID Dual specificity mitogen-activated protein kinase kinase 1 Name Dual specificity mitogen-activated protein kinase kinase 1
Model mice Fibrosis Disease Pulmonary fibrosis
Process I
Process II cells proliferation
Process III prevenet collagen deposition
Mechanism

Related Link

PubChem: 10127622
ChEMBL: CHEMBL1614701