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Compound Detail

CHEMBL302326

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Basic Information

ChEMBL ID CHEMBL302326
Phase Preclinical
Structure Type MOL
InChI Key PQBAWAQIRZIWIV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

94.1
MW (Da)
0.51
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H8N+
MW 94.14
Aromatic Rings 1
Heavy Atoms 7
NP-Likeness -0.06

Literature References

PubMed DOI Target Context # Activities
2374149 10.1021/jm00170a029 Sodium-dependent dopamine transporter 2
15149650 10.1016/j.bmcl.2004.04.020 Sodium- and chloride-dependent creatine transporter 1 1
20190787 10.1038/nrd3028 Solute carrier family 22 member 2 1
20190787 10.1038/nrd3028 Solute carrier family 22 member 1 1
20190787 10.1038/nrd3028 Multidrug and toxin extrusion protein 1 1
20190787 10.1038/nrd3028 Multidrug and toxin extrusion protein 2 1
22541068 10.1021/jm300212s Solute carrier organic anion transporter family member 2B1 1
22541068 10.1021/jm300212s Solute carrier organic anion transporter family member 1B3 1
22541068 10.1021/jm300212s Solute carrier organic anion transporter family member 1B1 1

Data from ChEMBL 36 via Core Engine