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Compound Detail

CHEMBL150244

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CC1=CC(=O)C(N2CCC2)=CC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL150244
Phase Preclinical
Structure Type MOL
InChI Key JKGONFTXNUSIHG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

177.2
MW (Da)
0.67
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H11NO2
MW 177.20
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 0.44

Literature References

PubMed DOI Target Context # Activities
8558523 10.1021/jm950629q Nucleic Acid 2
8558523 10.1021/jm950629q K562 1

Data from ChEMBL 36 via Core Engine