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Compound Detail

CHEMBL84653

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CCCCCCCCCCCC(=O)c1cccc([C@@H](O)[C@@H](N)CO)c1

Basic Information

ChEMBL ID CHEMBL84653
Phase Preclinical
Structure Type MOL
InChI Key RUFKMWRLXOCKBH-PZJWPPBQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.5
MW (Da)
4.14
ALogP
4
HBA
3
HBD
83.5
PSA (Ų)
0.35
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 C21H35NO3
MW 349.52
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.47

Activity Summary

IC50 1 meas. best 4.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C (PKC)
CHEMBL2094266
IC50 4.68 4.68 20700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C (PKC) IC50 = 20700.0 nM 4.68 Inhibition of Protein kinase C of rat brain using phosphatidyl serine: di-acyl g... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00427-U Protein kinase C (PKC) 1

Data from ChEMBL 36 via Core Engine