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Compound Detail

CHEMBL3220531

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c1ccc(CCN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1

Basic Information

ChEMBL ID CHEMBL3220531
Phase Preclinical
Structure Type MOL
InChI Key WBEUFVOMHJOXNI-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
4.97
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N4
MW 380.50
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.11

Activity Summary

IC50 2 meas. best 8.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 8.59 8.59 2.6 1
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 6.22 6.22 606.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C2MD20146A Fatty-acid amide hydrolase 1 2

Data from ChEMBL 36 via Core Engine