Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL319787

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cn1cc(C2=C(c3c4n(c5ccccc35)CCCCC4)C(=O)NC2=O)c2ccccc21

Basic Information

ChEMBL ID CHEMBL319787
Phase Preclinical
Structure Type MOL
InChI Key PMTQDTHDVBZNMC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
4.43
ALogP
4
HBA
1
HBD
56.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23N3O2
MW 409.49
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.36

Activity Summary

IC50 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C, PKC; classical
CHEMBL2097168
IC50 6.35 6.35 450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C, PKC; classical IC50 = 450.0 nM 6.35 Inhibition of protein kinase C was evaluated as Inhibitory concentration 8421286

Literature References

PubMed DOI Target Context # Activities
8421286 10.1021/jm00053a003 Protein kinase C, PKC; classical 1
8421286 10.1021/jm00053a003 Unchecked 1

Data from ChEMBL 36 via Core Engine