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Compound Detail

CHEMBL231717

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

Basic Information

ChEMBL ID CHEMBL231717
Phase Preclinical
Structure Type MOL
InChI Key WJTAKRSFNCCLHP-JYRVWZFOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
2.60
ALogP
2
HBA
3
HBD
65.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12N2O2
MW 240.26
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.22

Activity Summary

IC50 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3-phosphoinositide-dependent protein kinase 1
CHEMBL2534
IC50 7.1 7.1 80.0 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