PF-06840003   

GtoPdb Ligand ID: 9565

Synonyms: EOS200271 | PF06840003
Compound class: Synthetic organic
Comment: PF-06840003 is a small molecule IDO1 inhibitor, designed as a cancer immunotherapeutic. It is claimed as compound 1 in patent WO2015173764 [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 61.96
Molecular weight 232.06
XLogP 0.79
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Fc1cc2c(C3CC(=O)NC3=O)c[nH]c2cc1
Isomeric SMILES Fc1cc2c(C3CC(=O)NC3=O)c[nH]c2cc1
InChI InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)
InChI Key MXKLDYKORJEOPR-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
Synonyms
EOS200271 | PF06840003
Database Links
GtoPdb PubChem SID 336446951
PubChem CID 23063810
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