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Compound Detail

CHEMBL5796428

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CN(C)S(=O)(=O)N1CCC(CNc2nonc2C(=NO)Nc2ccc(F)c(Br)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5796428
Phase Preclinical
Structure Type MOL
InChI Key LBDUDYYKASXQSH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

506.4
MW (Da)
1.76
ALogP
8
HBA
3
HBD
136.2
PSA (Ų)
0.22
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21BrFN7O4S
MW 506.36
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -2.11

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