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Compound Detail

CHEMBL232783

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Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCC(C)NC(=O)Oc1ccccc1F

Basic Information

ChEMBL ID CHEMBL232783
Phase Preclinical
Structure Type MOL
InChI Key LXGNTFODLNMYKQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

485.6
MW (Da)
7.40
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H32FN3O2
MW 485.60
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.95

Activity Summary

IC50 1 meas. best 8.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 8.38 8.38 4.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 4.2 nM 8.38 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