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Compound Detail

CHEMBL601640

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O=C1Nc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc3c3c4c(cc1c23)OCO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL601640
Phase Preclinical
Structure Type MOL
InChI Key BMZVZDXTSLWMHR-MAEOEUOPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.4
MW (Da)
0.47
ALogP
9
HBA
5
HBD
146.9
PSA (Ų)
0.37
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 C22H19NO9
MW 441.39
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 1.90

Literature References

PubMed DOI Target Context # Activities
20097074 10.1016/j.bmcl.2010.01.018 Cyclin-dependent kinase 2 1

Data from ChEMBL 36 via Core Engine