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Compound Detail

CHEMBL4750134

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CN(C)c1cc(C(=O)NCC2CC2)nc(N2CCC[C@H](c3ccccc3)C2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4750134
Phase Preclinical
Structure Type MOL
InChI Key HSPKWMWNXWGJTO-SFHVURJKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
3.07
ALogP
5
HBA
1
HBD
61.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N5O
MW 379.51
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.34

Activity Summary

IC50 1 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D
CHEMBL4630839
 IC50 6.39 6.39 407.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D IC50 = 407.38 nM 6.39 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 2

Data from ChEMBL 36 via Core Engine