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Compound Detail

CHEMBL5774520

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Nc1cccc(C(O)CC2c3ccccc3-c3cncn32)c1

Basic Information

ChEMBL ID CHEMBL5774520
Phase Preclinical
Structure Type MOL
InChI Key XKHZICCQURTELE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
3.16
ALogP
4
HBA
2
HBD
64.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O
MW 291.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.03

Activity Summary

IC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Indoleamine 2,3-dioxygenase 1
CHEMBL4685
IC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Indoleamine 2,3-dioxygenase 1 IC50 = 550.0 nM 6.26 Enzymatic IDO Assay: The IC50 values for each compound were determined by testin... -

Data from ChEMBL 36 via Core Engine