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Compound Detail

CHEMBL1946914

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COc1cccc2oc(=O)c3[nH]c4ccccc4c3c12

Basic Information

ChEMBL ID CHEMBL1946914
Phase Preclinical
Structure Type MOL
InChI Key NTUBDWVUETWCOK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
3.44
ALogP
3
HBA
1
HBD
55.2
PSA (Ų)
0.54
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 C16H11NO3
MW 265.27
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness 0.29

Literature References

PubMed DOI Target Context # Activities
22305342 10.1016/j.ejmech.2012.01.040 Glycogen synthase kinase-3 1
22305342 10.1016/j.ejmech.2012.01.040 Cyclin-dependent kinase 5/CDK5 activator 1 1
22305342 10.1016/j.ejmech.2012.01.040 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1

Data from ChEMBL 36 via Core Engine