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Compound Detail

CHEMBL79330

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CCCCCCCC#Cc1ccc([C@@H](O)[C@@H](N)CO)s1

Basic Information

ChEMBL ID CHEMBL79330
Phase Preclinical
Structure Type MOL
InChI Key KIJKDXHNXDXCFH-HOCLYGCPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
2.81
ALogP
4
HBA
3
HBD
66.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25NO2S
MW 295.45
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.98

Activity Summary

IC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C (PKC)
CHEMBL2094266
IC50 4.7 4.7 19900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C (PKC) IC50 = 19900.0 nM 4.7 Inhibitory concentration required against Protein kinase C (isolated from rat br... -

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