Compound Detail
CHEMBL135982
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Basic Information
| ChEMBL ID | CHEMBL135982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQSPEDPZNBMSKV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
4.22
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.7 | 5.485 | 2020.0 | 2 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 4.91 | 4.91 | 12300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 2020.0 | nM | 5.7 | Displacement of [3H]WIN-35 428 from the dopamine transporter in rat caudate puta... | 9435902 |
| Sodium-dependent dopamine transporter | Ki | = | 5400.0 | nM | 5.27 | In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]D... | 9435902 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 12300.0 | nM | 4.91 | Binding affinity against Muscarinic acetylcholine receptor M1 sites of rat | 9435902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435902 | 10.1021/jm970525a | Sodium-dependent dopamine transporter | 2 |
| 9435902 | 10.1021/jm970525a | Sodium-dependent noradrenaline transporter | 1 |
| 9435902 | 10.1021/jm970525a | Sodium-dependent serotonin transporter | 1 |
| 9435902 | 10.1021/jm970525a | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine