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Compound Detail

CHEMBL6055937

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O=S(=O)(C1CC1)N1CCC(CNc2nonc2C(=NO)Nc2ccc(F)c(Br)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6055937
Phase Preclinical
Structure Type MOL
InChI Key UFTACRHTJSWQIY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

503.4
MW (Da)
2.45
ALogP
8
HBA
3
HBD
132.9
PSA (Ų)
0.23
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20BrFN6O4S
MW 503.35
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -2.02

Activity Summary

IC50 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Indoleamine 2,3-dioxygenase 1
CHEMBL4685
 IC50 6.85 6.85 141.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Indoleamine 2,3-dioxygenase 1 IC50 = 141.0 nM 6.85 Inhibitory Activity Assay: The tested compounds and the reference compounds are ... -

Data from ChEMBL 36 via Core Engine