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Compound Detail

CHEMBL184269

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CC(C)c1cccc(NC2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c1

Basic Information

ChEMBL ID CHEMBL184269
Phase Preclinical
Structure Type MOL
InChI Key RLWWZIIPVNAUAE-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
3.77
ALogP
3
HBA
3
HBD
74.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O2
MW 345.40
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.12

Activity Summary

IC50 3 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C beta type
CHEMBL3045
IC50 5.54 5.54 2863.0 3

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 beta type 1

Data from ChEMBL 36 via Core Engine