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Compound Detail

CHEMBL512698

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O=[N+]([O-])c1ccc(CNc2cc(Cl)nc3ccnn23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL512698
Phase Preclinical
Structure Type MOL
InChI Key ZGQJODSAGCOFGG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.7
MW (Da)
2.90
ALogP
6
HBA
1
HBD
85.4
PSA (Ų)
0.45
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 C13H10ClN5O2
MW 303.71
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -2.05

Literature References

PubMed DOI Target Context # Activities
18824351 10.1016/j.bmcl.2008.08.026 Small conductance calcium-activated potassium channel protein 3 2

Data from ChEMBL 36 via Core Engine