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Compound Detail

CHEMBL4760293

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O=C(NCC1CC1)c1cc(N2CC[C@H](O)C2)nc(N2CCC[C@H](c3ccccc3)C2)n1

Basic Information

ChEMBL ID CHEMBL4760293
Phase Preclinical
Structure Type MOL
InChI Key GFHJYPQZBBHOCC-PMACEKPBSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.6
MW (Da)
2.57
ALogP
6
HBA
2
HBD
81.6
PSA (Ų)
0.75
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 C24H31N5O2
MW 421.55
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.18

Activity Summary

IC50 2 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D
CHEMBL4630839
IC50 6.6 6.6 251.2 1
N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D
CHEMBL2163172
IC50 5.74 5.74 1819.7 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 2

Data from ChEMBL 36 via Core Engine