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Compound Detail

CHEMBL1947109

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O=c1oc2ccc(O)cc2c2c1[nH]c1cccc(-c3ccc(O)cc3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1947109
Phase Preclinical
Structure Type MOL
InChI Key JRCLXUSRVOEJOB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

343.3
MW (Da)
4.51
ALogP
4
HBA
3
HBD
86.5
PSA (Ų)
0.39
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 C21H13NO4
MW 343.34
Aromatic Rings 5
Heavy Atoms 26
NP-Likeness 0.51

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