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Compound Detail

CHEMBL4636735

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COc1cc(-c2cnc3c(N4C[C@@H](C)O[C@@H](C)C4)snc3c2)ccn1

Basic Information

ChEMBL ID CHEMBL4636735
Phase Preclinical
Structure Type MOL
InChI Key OTZBVSYFFJQWRC-TXEJJXNPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
3.38
ALogP
7
HBA
0
HBD
60.4
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 C18H20N4O2S
MW 356.45
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.21

Activity Summary

IC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-G-associated kinase
CHEMBL4355
IC50 6.26 6.26 545.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31757682 10.1016/j.bmc.2019.115188 Cyclin-G-associated kinase 1

Data from ChEMBL 36 via Core Engine