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Compound Detail

CHEMBL596114

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CCOc1c(Cl)cnn(-c2ccccc2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL596114
Phase Preclinical
Structure Type MOL
InChI Key NYUIZJNUHDKUHE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

250.7
MW (Da)
2.28
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.84
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 C12H11ClN2O2
MW 250.69
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.62

Literature References

PubMed DOI Target Context # Activities
19781950 10.1016/j.bmc.2009.08.067 Unchecked 1

Data from ChEMBL 36 via Core Engine