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Compound Detail

CHEMBL307437

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Cc1c2[nH]c3ccccc3c2cc[n+]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL307437
Phase Preclinical
Structure Type MOL
InChI Key WURQJRLLMSPUST-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

197.3
MW (Da)
2.45
ALogP
0
HBA
1
HBD
19.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13N2+
MW 197.26
Aromatic Rings 3
Heavy Atoms 15
NP-Likeness 0.88

Literature References

PubMed DOI Target Context # Activities
2374149 10.1021/jm00170a029 Sodium-dependent dopamine transporter 2

Data from ChEMBL 36 via Core Engine