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Compound Detail

CHEMBL2171267

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CCCCCCN(C)C(=O)n1c2ccc(Cl)cc2c2ccc(C(C)C(=O)O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171267
Phase Preclinical
Structure Type MOL
InChI Key XNVSKXKATRVKNI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

414.9
MW (Da)
6.12
ALogP
3
HBA
1
HBD
62.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27ClN2O3
MW 414.93
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.46

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