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Compound Detail

CHEMBL3217943

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COc1cc(-c2ccc3oc(N4Cc5ccccc5C4)nc3c2)ccn1

Basic Information

ChEMBL ID CHEMBL3217943
Phase Preclinical
Structure Type MOL
InChI Key IVLAPVBXSZHTRN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
4.42
ALogP
5
HBA
0
HBD
51.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O2
MW 343.39
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.04

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 10.0 nM 8.0 Inhibition of human FAAH expressed in HEK293 cells using arachadonyl 7-amino 4-m... -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C2MD00307D Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine