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Compound Detail

CHEMBL5967303

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CN(C)CCON=C1c2cc(F)ccc2-n2c1nc1ncccc1c2=O

Basic Information

ChEMBL ID CHEMBL5967303
Phase Preclinical
Structure Type MOL
InChI Key ILHZLVPMCCBOPA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
1.56
ALogP
7
HBA
0
HBD
72.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16FN5O2
MW 353.36
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Indoleamine 2,3-dioxygenase 1
CHEMBL4685
IC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Indoleamine 2,3-dioxygenase 1 IC50 = 550.0 nM 6.26 Indoleamine-2,3-Dioxygenase 1 Inhibitory Activity: Experimental method: IDO-1 ca... -

Data from ChEMBL 36 via Core Engine