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Compound Detail

CHEMBL393635

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Cc1cccc2c1NC(=O)/C2=C\c1ccc[nH]1

Basic Information

ChEMBL ID CHEMBL393635
Phase Preclinical
Structure Type MOL
InChI Key VEOLIGWNMBZLGI-WQLSENKSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

224.3
MW (Da)
2.82
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.72
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 C14H12N2O
MW 224.26
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.49

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