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Compound Detail

CHEMBL4469747

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COc1c(O)cc(O)c2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4469747
Phase Preclinical
Structure Type MOL
InChI Key KPOGCWQHTGKMRN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

329.3
MW (Da)
2.79
ALogP
7
HBA
2
HBD
123.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11NO7
MW 329.26
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.82

Literature References

PubMed DOI Target Context # Activities
31238183 10.1016/j.ejmech.2019.06.024 CDK2/Cyclin A2 1
31238183 10.1016/j.ejmech.2019.06.024 CDK9/cyclin T1 1
31238183 10.1016/j.ejmech.2019.06.024 HepG2 1

Data from ChEMBL 36 via Core Engine