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Compound Detail

CHEMBL2171268

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CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C(=O)NC3CCCCC3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171268
Phase Preclinical
Structure Type MOL
InChI Key YURLHNIGBVQOEX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

398.9
MW (Da)
5.53
ALogP
3
HBA
2
HBD
71.3
PSA (Ų)
0.61
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23ClN2O3
MW 398.89
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.59

Literature References

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

Data from ChEMBL 36 via Core Engine