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Compound Detail

CHEMBL4644798

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c1ccc2sc(-c3cncc4ccc(O[C@H]5CCNC5)cc34)nc2c1

Basic Information

ChEMBL ID CHEMBL4644798
Phase Preclinical
Structure Type MOL
InChI Key VWJFZFFZXANMLJ-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
4.25
ALogP
5
HBA
1
HBD
47.0
PSA (Ų)
0.60
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 C20H17N3OS
MW 347.44
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C zeta type
CHEMBL3438
IC50 6.2 6.2 631.0 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