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Compound Detail

CHEMBL4099318

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COc1ccc2c(C3CC(=O)NC3=O)c[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4099318
Phase Preclinical
Structure Type MOL
InChI Key NXKCBNXCDAFMKQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

244.2
MW (Da)
1.31
ALogP
3
HBA
2
HBD
71.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2O3
MW 244.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.09

Literature References

PubMed DOI Target Context # Activities
29111717 10.1021/acs.jmedchem.7b00974 Indoleamine 2,3-dioxygenase 1 1

Data from ChEMBL 36 via Core Engine