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Compound Detail

CHEMBL4646074

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Nc1ccc(-c2cncc3ccc(OC4CCNCC4)cc23)cc1

Basic Information

ChEMBL ID CHEMBL4646074
Phase Preclinical
Structure Type MOL
InChI Key GDHNVSGPIIDEFR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
3.61
ALogP
4
HBA
2
HBD
60.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N3O
MW 319.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.09

Activity Summary

IC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C zeta type
CHEMBL3438
IC50 6.96 6.96 109.0 1

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

Data from ChEMBL 36 via Core Engine