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Compound Detail

CHEMBL84654

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CCCCCCCCCCC#Cc1cccc([C@@H](O)[C@@H](N)CO)c1

Basic Information

ChEMBL ID CHEMBL84654
Phase Preclinical
Structure Type MOL
InChI Key AZCHDJYMUOCTQH-LEWJYISDSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.5
MW (Da)
3.92
ALogP
3
HBA
3
HBD
66.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H33NO2
MW 331.50
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.55

Activity Summary

IC50 2 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C (PKC)
CHEMBL2094266
IC50 5.57 5.11 2700.0 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
- 10.1016/0960-894X(95)00427-U Mus musculus 1

Data from ChEMBL 36 via Core Engine