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Compound Detail

CHEMBL3220530

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c1ccc2ncc(Nc3nccc4c3CCN(CC3CCCCC3)C4)cc2c1

Basic Information

ChEMBL ID CHEMBL3220530
Phase Preclinical
Structure Type MOL
InChI Key BGSYYDHQCSGCLX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.5
MW (Da)
5.31
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.67
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N4
MW 372.52
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.14

Activity Summary

IC50 2 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 7.55 7.55 28.0 1
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 6.35 6.35 449.0 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