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Compound Detail

CHEMBL5942933

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CN(C)C(=O)C(=O)N1CC(CNc2nonc2C(=NO)Nc2ccc(F)c(Br)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5942933
Phase Preclinical
Structure Type MOL
InChI Key JBARYVUQIMARHB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

484.3
MW (Da)
1.18
ALogP
8
HBA
3
HBD
136.2
PSA (Ų)
0.19
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19BrFN7O4
MW 484.29
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.69

Activity Summary

IC50 1 meas. best 6.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Indoleamine 2,3-dioxygenase 1
CHEMBL4685
 IC50 6.74 6.74 183.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Indoleamine 2,3-dioxygenase 1 IC50 = 183.0 nM 6.74 Inhibitory Activity Assay: The tested compounds and the reference compounds are ... -

Data from ChEMBL 36 via Core Engine