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Compound Detail

CHEMBL2171260

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COc1ccccc1Cn1c2ccc(Cl)cc2c2ccc(C(C)C(=O)O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171260
Phase Preclinical
Structure Type MOL
InChI Key QZNDMIVOEURJHT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

393.9
MW (Da)
5.69
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20ClNO3
MW 393.87
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
23043222 10.1021/jm3011146 Fatty-acid amide hydrolase 1 2
23043222 10.1021/jm3011146 Prostaglandin G/H synthase 2 1
23043222 10.1021/jm3011146 Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine