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Compound Detail

CHEMBL83961

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CCCCCCCCCCCCc1cccc([C@@H](O)[C@@H](N)CO)c1

Basic Information

ChEMBL ID CHEMBL83961
Phase Preclinical
Structure Type MOL
InChI Key YIJCVPLAUOUDGO-LEWJYISDSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.5
MW (Da)
4.50
ALogP
3
HBA
3
HBD
66.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H37NO2
MW 335.53
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.73

Activity Summary

IC50 2 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C (PKC)
CHEMBL2094266
IC50 5.43 5.095 3700.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00427-U Protein kinase C (PKC) 2

Data from ChEMBL 36 via Core Engine