MLN8237

Basic Information

CAS ID: 1028486-01-2
Molecular Formula: C27H20ClFN4O4
Molecular Weight: 518.9 g/mol
Monoisotopic Mass: 518.1157 g/mol
Class: Small Molecule
Natural Product: No
Other Names: MLN8237-004 | MLN8237 | ALISERTIB SODIUM | ALISERTIB | MLN-8237
Analysis: Drug repositioning mechanism analysis

O F N N NH O OH O N Cl

Compound Structure and Identifier

InChI: InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33) See All
InChI Key: ZLHFILGSQDJULK-UHFFFAOYSA-N
Smiles: COc1cccc(F)c1C2=NCc3cnc(Nc4ccc(C(=O)O)c(OC)c4)nc3c5ccc(Cl)cc25 See All
Molfile: Download

Related Target

Target ID Name Interaction
T0414 Aurora kinase A inhibitor

Related Fibrosis Property

Reference Record 1

PubMed ID 26569382 Target ID T0414
Uniprot ID Aurora kinase A Name Aurora kinase A
Model vitro,mice Fibrosis Disease Bone marrow fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism

Related Link

PubChem: 24771867
ChEMBL: CHEMBL483158