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Compound Detail

CHEMBL445782

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Clc1ccc(CNc2cc(Cl)nc3ccnn23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL445782
Phase Preclinical
Structure Type MOL
InChI Key QVQWRDAMSXIRBB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

293.2
MW (Da)
3.65
ALogP
4
HBA
1
HBD
42.2
PSA (Ų)
0.75
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 C13H10Cl2N4
MW 293.16
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.89

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