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Compound Detail

CHEMBL270487

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COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)n1

Basic Information

ChEMBL ID CHEMBL270487
Phase Preclinical
Structure Type MOL
InChI Key KZQIICDCAZJBDW-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.4
MW (Da)
5.01
ALogP
6
HBA
0
HBD
82.3
PSA (Ų)
0.31
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 C25H20N2O4
MW 412.45
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.55

Activity Summary

Ki 2 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
Ki 8.92 8.92 1.2 1
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 8.92 8.92 1.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18247553 10.1021/jm701210y Fatty-acid amide hydrolase 1 2

Data from ChEMBL 36 via Core Engine