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Compound Detail

CHEMBL6004154

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NS(=O)(=O)N1CCC(COc2nonc2C(=NO)Nc2ccc(F)c(Br)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6004154
Phase Preclinical
Structure Type MOL
InChI Key IUNPKWHETTVTJB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

479.3
MW (Da)
1.12
ALogP
8
HBA
3
HBD
156.2
PSA (Ų)
0.24
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16BrFN6O5S
MW 479.29
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.96

Activity Summary

IC50 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Indoleamine 2,3-dioxygenase 1
CHEMBL4685
 IC50 6.2 6.2 628.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Indoleamine 2,3-dioxygenase 1 IC50 = 628.0 nM 6.2 Inhibitory Activity Assay: The tested compounds and the reference compounds are ... -

Data from ChEMBL 36 via Core Engine