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Compound Detail

CHEMBL233594

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

Basic Information

ChEMBL ID CHEMBL233594
Phase Preclinical
Structure Type MOL
InChI Key HMJCRVRGZFQOMD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

513.7
MW (Da)
8.04
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.21
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H36FN3O2
MW 513.66
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 6.6 6.6 250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 250.0 nM 6.6 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