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Compound Detail

CHEMBL607838

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CCOc1c(Cl)cnn(-c2ccc([N+](=O)[O-])cc2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL607838
Phase Preclinical
Structure Type MOL
InChI Key POFQHISBMLNCKS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.7
MW (Da)
2.19
ALogP
6
HBA
0
HBD
87.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10ClN3O4
MW 295.68
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.87

Literature References

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

Data from ChEMBL 36 via Core Engine