Compound Detail
CHEMBL2064618
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Basic Information
| ChEMBL ID | CHEMBL2064618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZORGJQSIYWHYSL-TTZOBXRKSA-N |
| Parent Compound | CHEMBL2064615 |
| Active Moiety | CHEMBL2064615 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.4
MW (Da)
4.80
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL2125 | Kd | 8.76 | 8.76 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | Kd | = | 1.73 | nM | 8.76 | 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 |
| 22831799 | 10.1016/j.bmc.2012.06.040 | No relevant target | 1 |
| 22831799 | 10.1016/j.bmc.2012.06.040 | Brain | 1 |
Data from ChEMBL 36 via Core Engine