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Compound Detail

CHEMBL321614

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COC1=CC(=O)c2c(c(CO)c(-c3ccc4ccccc4c3)n2C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL321614
Phase Preclinical
Structure Type MOL
InChI Key MDCQDYDPOCNIET-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
3.25
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17NO4
MW 347.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.80

Literature References

PubMed DOI Target Context # Activities
11563930 10.1021/jm010884c NAD(P)H dehydrogenase [quinone] 1 1
11563930 10.1021/jm010884c BE-WT 1
11563930 10.1021/jm010884c BE-NQ 1

Data from ChEMBL 36 via Core Engine