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Compound Detail

CHEMBL4649829

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c1cc(-c2cncc3ccc(O[C@H]4CCNC4)cc23)co1

Basic Information

ChEMBL ID CHEMBL4649829
Phase Preclinical
Structure Type MOL
InChI Key LWGSEHQJZNMKIO-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
3.24
ALogP
4
HBA
1
HBD
47.3
PSA (Ų)
0.80
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 C17H16N2O2
MW 280.33
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.18

Activity Summary

IC50 1 meas. best 5.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C zeta type
CHEMBL3438
IC50 5.9 5.9 1253.0 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