Compound Detail
CHEMBL275979
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Basic Information
| ChEMBL ID | CHEMBL275979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSAYJCXTSFMAPM-QPJJXVBHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
445.6
MW (Da)
6.78
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.06 | 7.06 | 86.4 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 6.4 | 6.4 | 401.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 86.4 | nM | 7.06 | Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putam... | 10737741 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 401.0 | nM | 6.4 | Compound is tested for displacement of [3H]pirenzepine at Metabotropic glutamate... | 10737741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10737741 | 10.1021/jm990265s | Sodium-dependent dopamine transporter | 1 |
| 10737741 | 10.1021/jm990265s | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine