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Compound Detail

CHEMBL281448

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O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CS(=O)(=O)C3

Basic Information

ChEMBL ID CHEMBL281448
Phase Preclinical
Structure Type MOL
InChI Key VHKHMIWKQLSJIU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.4
MW (Da)
3.49
ALogP
5
HBA
1
HBD
73.1
PSA (Ų)
0.43
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 C22H15N3O3S
MW 401.45
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness 0.10

Activity Summary

IC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C (PKC)
CHEMBL2094266
IC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C (PKC) IC50 = 5.0 nM 8.3 In vitro inhibition of protein kinase C from rat brain. -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80356-5 Protein kinase C (PKC) 1

Data from ChEMBL 36 via Core Engine