Itacitinib

Basic Information


CAS ID: 1334298-90-6
Molecular Formula: C26H23F4N9O
Molecular Weight: 553.5 g/mol
Monoisotopic Mass: 553.1962 g/mol
Class: Small Molecule
Natural Product: No
Other Names: INCB039110 | INCB039110 adipate | INCB-039110 | INCB-39110 | ITACITINIB ADIPATE | ITACITINIB
Analysis: Drug repositioning mechanism analysis

F N F F F O N N N N N N N NH


Compound Structure and Identifier


InChI: InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35) See All
InChI Key: KTBSXLIQKWEBRB-UHFFFAOYSA-N
Smiles: Fc1c(ccnc1C(F)(F)F)C(=O)N2CCC(CC2)N3CC(CC#N)(C3)n4cc(cn4)c5ncnc6[nH]ccc56 See All
Molfile: Download


Related Target



Related Fibrosis Property


Trial Record 1

ClinicalTrial ID NCT01633372 Disease Bone marrow fibrosis
Phase Phase 2 Status Active, not recruiting
First Received July 4, 2012 Last Verified March 1, 2019
Sponsor Incyte Corporation

Related Link


PubChem: 53380437
ChEMBL: CHEMBL3622820