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Compound Detail

CHEMBL5768067

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CC(C)(C)OC(=O)N1CC(CNc2nonc2/C(=N\O)Nc2ccc(F)c(Br)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5768067
Phase Preclinical
Structure Type MOL
InChI Key WTPNJRNQWNJICW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

485.3
MW (Da)
3.50
ALogP
8
HBA
3
HBD
125.1
PSA (Ų)
0.25
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22BrFN6O4
MW 485.31
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.55

Activity Summary

IC50 1 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Indoleamine 2,3-dioxygenase 1
CHEMBL4685
 IC50 6.37 6.37 430.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Indoleamine 2,3-dioxygenase 1 IC50 = 430.0 nM 6.37 Inhibitory Activity Assay: The tested compounds and the reference compounds are ... -

Data from ChEMBL 36 via Core Engine