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Compound Detail

CHEMBL5186346

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C=CC(=O)N(CC#N)CCOCCCCCCCCCCC

Basic Information

ChEMBL ID CHEMBL5186346
Phase Preclinical
Structure Type MOL
InChI Key HAZNXFIPUPFDGB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

308.5
MW (Da)
4.07
ALogP
3
HBA
0
HBD
53.3
PSA (Ų)
0.26
QED
0
Ro5 Violations
15
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H32N2O2
MW 308.47
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness -0.65

Activity Summary

IC50 1 meas. best 5.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Palmitoyltransferase ZDHHC20
CHEMBL5169156
IC50 5.71 5.71 1970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36262404 10.1021/acsmedchemlett.2c00336 Palmitoyltransferase ZDHHC20 1
36262404 10.1021/acsmedchemlett.2c00336 No relevant target 1
36262404 10.1021/acsmedchemlett.2c00336 Palmitoyltransferase ZDHHC2 1

Data from ChEMBL 36 via Core Engine