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Compound Detail

CHEMBL334034

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CCOC(=O)c1c2c(n(C)c1C)C(=O)C=C(OC)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL334034
Phase Preclinical
Structure Type MOL
InChI Key BWBVCZFGCXWUIR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
1.42
ALogP
6
HBA
0
HBD
74.6
PSA (Ų)
0.78
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 C14H15NO5
MW 277.28
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.44

Literature References

PubMed DOI Target Context # Activities
9822546 10.1021/jm980328r NAD(P)H dehydrogenase [quinone] 1 2
11563930 10.1021/jm010884c NAD(P)H dehydrogenase [quinone] 1 2
9871615 10.1016/s0960-894x(98)00069-9 Homo sapiens 1
9822546 10.1021/jm980328r NCI-H460 1
9822546 10.1021/jm980328r NCI-H596 1
9822546 10.1021/jm980328r Unchecked 1

Data from ChEMBL 36 via Core Engine