epacadostat

Ligand id: 8221

Name: epacadostat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 8
Topological polar surface area 155.32
Molecular weight 436.99
XLogP 0.81
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3E)-3-[(3-bromo-4-fluoroanilino)-nitrosomethylidene]-4-[2-(sulfamoylamino)ethylamino]-1,2,5-oxadiazole
Synonyms
IDO inhibitor 1 | INCB 24360 | INCB-24360 | INCB024360
Database Links
CAS Registry No. 1204669-58-8
GtoPdb PubChem SID 249565901
PubChem CID 44608567
Search Google for chemical match using the InChIKey YPBKTZBXSBLTDK-PKNBQFBNSA-N
Search Google for chemicals with the same backbone YPBKTZBXSBLTDK
Search UniChem for chemical match using the InChIKey YPBKTZBXSBLTDK-PKNBQFBNSA-N
Search UniChem for chemicals with the same backbone YPBKTZBXSBLTDK
Comments
INCB024360 is an orally bioavailable, potent, small molecule inhibitor of indoleamine-2,3-dioxygenase 1 (IDO1) [1-2], with potential therapeutic potential in immunodeficiency-associated abnormalities, including cancer.