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Compound Detail

CHEMBL163269

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Br.N=C(N)SCCCn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2ccccc21

Basic Information

ChEMBL ID CHEMBL163269
Phase Preclinical
Structure Type MOL
InChI Key NHNFZSVAPDAFRV-UHFFFAOYSA-N
Parent Compound CHEMBL1181306
Active Moiety CHEMBL1181306
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
4.38
ALogP
5
HBA
3
HBD
101.0
PSA (Ų)
0.17
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 C26H23BrN4O2S
MW 535.47
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C (PKC)
CHEMBL2093867
IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C (PKC) IC50 = 10.0 nM 8.0 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