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Compound Detail

CHEMBL282805

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CC1n2c3ccccc3c3c4c(c5c6ccccc6n(c5c32)C(C)S1(=O)=O)C(=O)NC4=O

Basic Information

ChEMBL ID CHEMBL282805
Phase Preclinical
Structure Type MOL
InChI Key KEBJMSSIYOGESY-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
4.25
ALogP
6
HBA
1
HBD
90.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17N3O4S
MW 443.48
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness 0.06

Activity Summary

IC50 2 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C (PKC)
CHEMBL2094266
IC50 8.62 7.77 2.4 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80356-5 Protein kinase C (PKC) 2

Data from ChEMBL 36 via Core Engine