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Compound Detail

CHEMBL2204234

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Cc1cc2nc(-c3ccccc3NC(=O)c3cccs3)c(=O)[nH]c2cc1C

Basic Information

ChEMBL ID CHEMBL2204234
Phase Preclinical
Structure Type MOL
InChI Key ZVIDSTBQVSGQBD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
4.52
ALogP
4
HBA
2
HBD
74.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O2S
MW 375.45
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.68

Activity Summary

IC50 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase 33
CHEMBL6005
IC50 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23256033 10.1021/ml300246r Unchecked 2
23256033 10.1021/ml300246r Serine/threonine-protein kinase 33 1

Data from ChEMBL 36 via Core Engine