Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4752937

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN(CCc1ccccc1)c1cc(C(=O)NCC2CC2)nc(N(C)CCc2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4752937
Phase Preclinical
Structure Type MOL
InChI Key GWWDZNSOAFCWCH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.6
MW (Da)
3.97
ALogP
5
HBA
1
HBD
61.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33N5O
MW 443.60
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.82

Activity Summary

IC50 1 meas. best 6.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D
CHEMBL4630839
 IC50 6.81 6.81 154.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D IC50 = 154.88 nM 6.81 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