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Compound Detail

CHEMBL503942

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Oc1ccc(-c2c[nH]cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL503942
Phase Preclinical
Structure Type MOL
InChI Key FUJXZMIUZAVJPP-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

160.2
MW (Da)
1.78
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H8N2O
MW 160.18
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness 0.01

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
18665584 10.1021/jm800512z Indoleamine 2,3-dioxygenase 1 1
26207924 10.1021/acs.jmedchem.5b00461 Indoleamine 2,3-dioxygenase 1 1

Data from ChEMBL 36 via Core Engine