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Compound Detail

CHEMBL4751223

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CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCCC2)n1

Basic Information

ChEMBL ID CHEMBL4751223
Phase Preclinical
Structure Type MOL
InChI Key WFIPUUMPPUPNIO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
2.90
ALogP
5
HBA
1
HBD
61.4
PSA (Ų)
0.76
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 C22H29N5O
MW 379.51
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.35

Activity Summary

IC50 1 meas. best 6.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D
CHEMBL4630839
IC50 6.65 6.65 223.9 1

Activity Data Samples

Top measurements by pChEMBL value

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