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Compound Detail

CHEMBL5904975

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NC(CCSc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5904975
Phase Preclinical
Structure Type MOL
InChI Key WJWKNELKWMCOJJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.2
MW (Da)
2.11
ALogP
8
HBA
4
HBD
146.9
PSA (Ų)
0.17
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13BrFN5O4S
MW 434.25
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.34

Activity Summary

IC50 1 meas. best 7.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Indoleamine 2,3-dioxygenase 1
CHEMBL4685
 IC50 7.53 7.53 29.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Indoleamine 2,3-dioxygenase 1 IC50 = 29.4 nM 7.53 Enzyme Assay: HIS-tagged IDO1 protein was recombinantly expressed in Escherichia... -

Data from ChEMBL 36 via Core Engine