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Compound Detail

CHEMBL2376203

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Cc1cc(C(=O)c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(-c2nnn(C(=O)N(C)C)n2)cc1

Basic Information

ChEMBL ID CHEMBL2376203
Phase Preclinical
Structure Type MOL
InChI Key LAMRWNPESOFMFE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

490.6
MW (Da)
5.18
ALogP
7
HBA
0
HBD
85.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H26N6O2
MW 490.57
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -1.52

Activity Summary

IC50 2 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 7.4 7.4 40.0 1
Monoglyceride lipase
CHEMBL4191
IC50 6.19 6.19 650.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23455058 10.1016/j.ejmech.2013.01.050 Fatty-acid amide hydrolase 1 1
23455058 10.1016/j.ejmech.2013.01.050 Monoglyceride lipase 1

Data from ChEMBL 36 via Core Engine