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Compound Detail

CHEMBL133390

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COC1=CC(=O)c2c(c(CO)c(/C=C/CO)n2C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL133390
Phase Preclinical
Structure Type MOL
InChI Key CCCWYOUVMHMKSG-ONEGZZNKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
0.43
ALogP
6
HBA
2
HBD
88.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15NO5
MW 277.28
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.56

Literature References

PubMed DOI Target Context # Activities
10514277 10.1021/jm991063z NAD(P)H dehydrogenase [quinone] 1 2
10514277 10.1021/jm991063z A549 1
10514277 10.1021/jm991063z HT-29 1
10514277 10.1021/jm991063z BE 1

Data from ChEMBL 36 via Core Engine