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Compound Detail

CHEMBL2426726

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O=[N+]([O-])c1cc(NCc2cccc3nonc23)ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2426726
Phase Preclinical
Structure Type MOL
InChI Key GTMSMBUTSFZMMR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.7
MW (Da)
3.40
ALogP
6
HBA
1
HBD
94.1
PSA (Ų)
0.59
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 C13H9ClN4O3
MW 304.69
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -2.28

Literature References

PubMed DOI Target Context # Activities
23953193 10.1016/j.bmcl.2013.07.053 Unchecked 3

Data from ChEMBL 36 via Core Engine