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Compound Detail

CHEMBL4633319

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Nc1ccc(-c2ccc3ccncc3c2)cc1

Basic Information

ChEMBL ID CHEMBL4633319
Phase Preclinical
Structure Type MOL
InChI Key LVBSGFYSYKBMIG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

220.3
MW (Da)
3.48
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N2
MW 220.28
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.44

Activity Summary

IC50 2 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C zeta type
CHEMBL3438
IC50 5.7 4.96 2000.0 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