Compound Detail
CHEMBL2374420
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Basic Information
| ChEMBL ID | CHEMBL2374420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSSBJODGIYRAMI-ALMKSMPFSA-N |
| Parent Compound | CHEMBL20730 |
| Active Moiety | CHEMBL20730 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
259.4
MW (Da)
3.17
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL2125 | Kd | 8.13 | 8.13 | 7.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | Kd | = | 7.4 | nM | 8.13 | Binding affinity to VAChT in Sprague-Dawley rat cerebral membrane after 1 hr by ... | 22831799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22831799 | 10.1016/j.bmc.2012.06.040 | Vesicular acetylcholine transporter | 2 |
Data from ChEMBL 36 via Core Engine