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Compound Detail

CHEMBL410936

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O=C1Cc2c(oc3ccccc23)-c2ccccc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL410936
Phase Preclinical
Structure Type MOL
InChI Key MTJNVONGPGXCPJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
3.59
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11NO2
MW 249.27
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness 0.24

Literature References

PubMed DOI Target Context # Activities
18345612 10.1021/jm701582f Glycogen synthase kinase-3 1
18345612 10.1021/jm701582f Cyclin-dependent kinase 5/CDK5 activator 1 1
18345612 10.1021/jm701582f Unchecked 1

Data from ChEMBL 36 via Core Engine