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Compound Detail

CHEMBL394300

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CCc1ccc(/C=C2\C(=O)Nc3ccc(O)cc32)[nH]1

Basic Information

ChEMBL ID CHEMBL394300
Phase Preclinical
Structure Type MOL
InChI Key QVDIFBAOKIFGOV-QPEQYQDCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
2.78
ALogP
2
HBA
3
HBD
65.1
PSA (Ų)
0.57
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 C15H14N2O2
MW 254.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.51

Activity Summary

IC50 1 meas. best 5.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3-phosphoinositide-dependent protein kinase 1
CHEMBL2534
IC50 5.64 5.64 2300.0 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