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Compound Detail

CHEMBL1946915

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O=c1oc2ccccc2c2c1[nH]c1cccc(-c3ccc(O)cc3)c12

Basic Information

ChEMBL ID CHEMBL1946915
Phase Preclinical
Structure Type MOL
InChI Key FODJLTYSBLBSAN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

327.3
MW (Da)
4.80
ALogP
3
HBA
2
HBD
66.2
PSA (Ų)
0.43
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 C21H13NO3
MW 327.34
Aromatic Rings 5
Heavy Atoms 25
NP-Likeness 0.38

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