Compound Detail
CHEMBL431413
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Basic Information
| ChEMBL ID | CHEMBL431413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQNIETARODWQCM-DNQXCXABSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
502.4
MW (Da)
4.21
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.64
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL3313 | Ki | 9.01 | 9.01 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | Ki | = | 0.98 | nM | 9.01 | In vitro binding affinity to vesamicol receptor using [3H]vesamicol. | 8057300 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8057300 | 10.1021/jm00042a010 | Vesicular acetylcholine transporter | 1 |
Data from ChEMBL 36 via Core Engine