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Compound Detail

CHEMBL84652

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CCCCCCCCCCCOc1cccc([C@@H](O)[C@@H](N)CO)c1

Basic Information

ChEMBL ID CHEMBL84652
Phase Preclinical
Structure Type MOL
InChI Key XMYJWXJTMPDCNO-VQTJNVASSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.5
MW (Da)
3.95
ALogP
4
HBA
3
HBD
75.7
PSA (Ų)
0.45
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 C20H35NO3
MW 337.50
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.24

Activity Summary

IC50 1 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C (PKC)
CHEMBL2094266
IC50 4.62 4.62 24100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C (PKC) IC50 = 24100.0 nM 4.62 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