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Compound Detail

CHEMBL356822

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Cc1c(CO)c2c(n1C)C(=O)C=C(N1CCC1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL356822
Phase Preclinical
Structure Type MOL
InChI Key ZHJYUINNPAIGSA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

260.3
MW (Da)
0.79
ALogP
5
HBA
1
HBD
62.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16N2O3
MW 260.29
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
9822546 10.1021/jm980328r 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