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

CHEMBL4645167

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
c1cc2cc(O[C@H]3CCNC3)ccc2cn1

Basic Information

ChEMBL ID CHEMBL4645167
Phase Preclinical
Structure Type MOL
InChI Key UWNKRNQWEDZCFZ-ZDUSSCGKSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

214.3
MW (Da)
1.98
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N2O
MW 214.27
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.21

Activity Summary

IC50 2 meas. best 4.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C zeta type
CHEMBL3438
IC50 4.85 4.85 14000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32551607 10.1021/acs.jmedchem.0c00449 Protein kinase C zeta type 1
34928151 10.1021/acs.jmedchem.1c01803 Protein kinase C zeta type 1

Data from ChEMBL 36 via Core Engine