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Compound Detail

CHEMBL4877893

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O=C(O)CCc1ccc2[nH]c(-c3ccncc3Cl)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4877893
Phase Preclinical
Structure Type MOL
InChI Key IWNHOHBRZROIEO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

300.8
MW (Da)
3.90
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13ClN2O2
MW 300.75
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
33769827 10.1021/acs.jmedchem.1c00031 Free fatty acid receptor 1 2
33769827 10.1021/acs.jmedchem.1c00031 Peroxisome proliferator-activated receptor gamma 2

Data from ChEMBL 36 via Core Engine