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Compound Detail

CHEMBL3318317

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Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3318317
Phase Preclinical
Structure Type MOL
InChI Key VMQZFDPAEMQAQV-QGZVFWFLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
3.95
ALogP
2
HBA
2
HBD
65.2
PSA (Ų)
0.69
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 C23H24FN3O2
MW 393.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.56

Activity Summary

IC50 1 meas. best 7.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Monoglyceride lipase
CHEMBL4191
 IC50 7.41 7.41 39.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Monoglyceride lipase IC50 = 39.0 nM 7.41 Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 m... 25011912

Literature References

PubMed DOI Target Context # Activities
25011912 10.1016/j.bmcl.2014.06.029 Monoglyceride lipase 7
25011912 10.1016/j.bmcl.2014.06.029 Homo sapiens 1
25011912 10.1016/j.bmcl.2014.06.029 No relevant target 1

Data from ChEMBL 36 via Core Engine