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Compound Detail

CHEMBL2029616

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COc1cc(O)c(C2CCCCN2)c2oc(-c3ccccc3)cc(=O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2029616
Phase Preclinical
Structure Type MOL
InChI Key NCKUKESTUWVGFY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
3.99
ALogP
5
HBA
2
HBD
71.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H21NO4
MW 351.40
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 1.28

Literature References

PubMed DOI Target Context # Activities
22352892 10.1021/jm201727w Cyclin-dependent kinase 5/CDK5 activator 1 1
22352892 10.1021/jm201727w Glycogen synthase kinase-3 1
22352892 10.1021/jm201727w Dual specificity protein kinase CLK1 1
22352892 10.1021/jm201727w Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
22352892 10.1021/jm201727w Unchecked 1

Data from ChEMBL 36 via Core Engine