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Compound Detail

CHEMBL4759968

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CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CC[C@H](O)C2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4759968
Phase Preclinical
Structure Type MOL
InChI Key UOPDRTDZPPOXDV-SFHVURJKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
1.87
ALogP
6
HBA
2
HBD
81.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N5O2
MW 395.51
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 6.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D
CHEMBL4630839
 IC50 6.63 6.63 234.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D IC50 = 234.42 nM 6.63 Inhibition of full length human NAPE-PLD expressed in HEK293T cell lysate using ... 33382264

Literature References

PubMed DOI Target Context # Activities
33382264 10.1021/acs.jmedchem.0c01441 N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D 1

Data from ChEMBL 36 via Core Engine