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Compound Detail

CHEMBL428372

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COC(=O)COc1cccc(-n2cnc(-c3ccccc3)c2-c2ccccc2)c1

Basic Information

ChEMBL ID CHEMBL428372
Phase Preclinical
Structure Type MOL
InChI Key RYGSHULDICKKAP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
4.76
ALogP
5
HBA
0
HBD
53.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20N2O3
MW 384.44
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 5.19 5.19 6500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 6500.0 nM 5.19 Inhibition of human FAAH expressed in H4 cells 17459705

Literature References

PubMed DOI Target Context # Activities
17459705 10.1016/j.bmcl.2007.04.009 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine