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Compound Detail

CHEMBL3297830

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Cn1c2c(O)cccc2c(=O)c2c3c(c4c(c21)C=CC(C)(C)O4)C=C(O)C(C)(C)O3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3297830
Phase Preclinical
Structure Type MOL
InChI Key BJTMZDDORNSYCW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

405.4
MW (Da)
4.65
ALogP
6
HBA
2
HBD
80.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H23NO5
MW 405.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 2.26

Literature References

PubMed DOI Target Context # Activities
24798019 10.1021/np400856h Cyclin-dependent kinase 1 1
24798019 10.1021/np400856h Cyclin-dependent kinase 5 1
24798019 10.1021/np400856h Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
24798019 10.1021/np400856h Dual specificity protein kinase CLK1 1
24798019 10.1021/np400856h Glycogen synthase kinase-3 1
24798019 10.1021/np400856h Unchecked 1

Data from ChEMBL 36 via Core Engine