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Compound Detail

CHEMBL162621

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N#CC1=C(c2c(-c3cc4ccccc4s3)n(CCCSC(=N)N)c3ccccc23)C(=O)NC1=O

Basic Information

ChEMBL ID CHEMBL162621
Phase Preclinical
Structure Type MOL
InChI Key QYBVZIIWBRIXMX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

485.6
MW (Da)
4.47
ALogP
7
HBA
3
HBD
124.8
PSA (Ų)
0.16
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19N5O2S2
MW 485.59
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.97

Activity Summary

IC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C (PKC)
CHEMBL2093867
IC50 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C (PKC) IC50 = 2.0 nM 8.7 Inhibitory activity was evaluated against protein kinase C -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(94)00460-W Protein kinase C (PKC) 1

Data from ChEMBL 36 via Core Engine