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Compound Detail

CHEMBL183310

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O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1Nc1ccccc1

Basic Information

ChEMBL ID CHEMBL183310
Phase Preclinical
Structure Type MOL
InChI Key WEKZVKNLORTLQV-UHFFFAOYSA-N
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
2.65
ALogP
3
HBA
3
HBD
74.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13N3O2
MW 303.32
Aromatic Rings 3
Heavy Atoms 23

Activity Summary

IC50 5 meas. best 6.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C beta type
CHEMBL3045
IC50 6.65 6.5875 223.0 4
Protein kinase C alpha type
CHEMBL299
IC50 5.14 5.14 7233.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15380221 10.1016/j.bmcl.2004.07.061 Protein kinase C beta type 2
- 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

Data from ChEMBL 36 via Core Engine