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Compound Detail

CHEMBL369114

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Cc1cccc(NC2=C(c3cn(CCCN(C)C)c4ccccc34)C(=O)NC2=O)c1

Basic Information

ChEMBL ID CHEMBL369114
Phase Preclinical
Structure Type MOL
InChI Key FNZFLGLGSOANLF-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
3.38
ALogP
5
HBA
2
HBD
66.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N4O2
MW 402.50
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.03

Activity Summary

IC50 5 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C beta type
CHEMBL3045
IC50 7.82 7.82 15.0 3
Protein kinase C alpha type
CHEMBL299
IC50 6.14 6.14 727.0 1
Protein kinase C epsilon type
CHEMBL3582
IC50 5.46 5.46 3455.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-010-9439-6 Protein kinase C beta type 2
15380221 10.1016/j.bmcl.2004.07.061 Protein kinase C alpha type 1
15380221 10.1016/j.bmcl.2004.07.061 Protein kinase C epsilon type 1
15380221 10.1016/j.bmcl.2004.07.061 Protein kinase C beta type 1

Data from ChEMBL 36 via Core Engine