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Compound Detail

CHEMBL3217945

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Cn1ncc2cc(-c3ccc4oc(N5Cc6ccccc6C5)nc4c3)ccc21

Basic Information

ChEMBL ID CHEMBL3217945
Phase Preclinical
Structure Type MOL
InChI Key ZDTAZDOZTNJJNF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
4.90
ALogP
5
HBA
0
HBD
47.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18N4O
MW 366.42
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 8.92 8.92 1.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 1.2 nM 8.92 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