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Compound Detail

CHEMBL234601

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C/C(=C1/C(=O)Nc2ccc(S(N)(=O)=O)cc21)c1ccc[nH]1

Basic Information

ChEMBL ID CHEMBL234601
Phase Preclinical
Structure Type MOL
InChI Key ZRFNJMWFTYWQPI-JYRVWZFOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
1.54
ALogP
3
HBA
3
HBD
105.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N3O3S
MW 303.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3-phosphoinositide-dependent protein kinase 1
CHEMBL2534
IC50 7.17 7.17 67.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17531483 10.1016/j.bmcl.2007.04.071 3-phosphoinositide-dependent protein kinase 1 1

Data from ChEMBL 36 via Core Engine