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Compound Detail

CHEMBL6012923

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OC(C=c1c2ccccc2c2cncn12)C1CCCCC1

Basic Information

ChEMBL ID CHEMBL6012923
Phase Preclinical
Structure Type MOL
InChI Key JYHYESPWJNAVOK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
2.93
ALogP
3
HBA
1
HBD
37.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2O
MW 280.37
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.11

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