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Compound Detail

CHEMBL3983408

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COC(=O)c1ccc(Oc2cccc(CN3CCN(C(=O)Nc4ccccc4)CC3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3983408
Phase Preclinical
Structure Type MOL
InChI Key JTWZBGZFZAPWHO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
4.62
ALogP
5
HBA
1
HBD
71.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27N3O4
MW 445.52
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.41

Activity Summary

IC50 2 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
 IC50 7.3 7.3 50.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 50.0 nM 7.3 Biological Assay: Assay Method 1: T84 frozen pellets (contents of 1-4x15 cm cult... -
Fatty-acid amide hydrolase 1 IC50 = 50.0 nM 7.3 Biological Assay: Assay Method 1: T84 frozen pellets (contents of 1-4x15 cm cult... -

Data from ChEMBL 36 via Core Engine