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Compound Detail

CHEMBL393841

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NCc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2

Basic Information

ChEMBL ID CHEMBL393841
Phase Preclinical
Structure Type MOL
InChI Key NEWALEFALHIMCX-GHXNOFRVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

239.3
MW (Da)
1.97
ALogP
2
HBA
3
HBD
70.9
PSA (Ų)
0.70
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 C14H13N3O
MW 239.28
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.33

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3-phosphoinositide-dependent protein kinase 1
CHEMBL2534
IC50 6.0 6.0 1000.0 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