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]
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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
CAS Number: 198474-05-4
TTD ID: D0J1HB

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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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

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