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Compound Detail

CHEMBL2171256

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CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(Cc3ccccc3)c2c1

Basic Information

ChEMBL ID CHEMBL2171256
Phase Preclinical
Structure Type MOL
InChI Key ZZAOICGAGLQNDH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

363.8
MW (Da)
5.68
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18ClNO2
MW 363.84
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.61

Activity Summary

IC50 1 meas. best 4.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 4.63 4.63 23300.0 1

Activity Data Samples

Top measurements by pChEMBL value

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