Details of the Drug

General Information of Drug (ID: DMOX6EJ)

Drug Name
PF-06840003
Synonyms
3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione; 198474-05-4; PF06840003; 2,5-Pyrrolidinedione, 3-(5-fluoro-1H-indol-3-yl)-; 3-(5-fluoro-indol-3-yl)-pyrrolidine-2,5-dione; SCHEMBL5463464; GTPL9565; CTK0A0183; DTXSID00630149; MXKLDYKORJEOPR-UHFFFAOYSA-N; KS-000008MY; EX-A1186; EOS200271; AKOS027252536; CS-6186; AS-51973; HY-101111; 3-(5-Fluoro-1H-indol-3-yl)-pyrrolidine-2,5-dione
Indication
Disease Entry ICD 11 Status REF
Glioma 2A00.0 Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 232.21
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C12H9FN2O2
IUPAC Name
3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
Canonical SMILES
C1C(C(=O)NC1=O)C2=CNC3=C2C=C(C=C3)F
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)
InChIKey
MXKLDYKORJEOPR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
23063810
ChEBI ID
CHEMBL4086143
CAS Number
198474-05-4
TTD ID
D0J1HB
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Indoleamine 2,3-dioxygenase 1 (IDO1) TTZJYKH I23O1_HUMAN Inhibitor [1]
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References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)