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Compound Detail

CHEMBL70438

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Cc1ccccc1-c1cc[n+](C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL70438
Phase Preclinical
Structure Type MOL
InChI Key SQQIVWWCOPFTKT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

184.3
MW (Da)
2.49
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N+
MW 184.26
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
2374149 10.1021/jm00170a029 Sodium-dependent dopamine transporter 2
2374149 10.1021/jm00170a029 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine