Compound Detail
CHEMBL12619
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=[N+]([O-])c1ccc(-c2ccc(COCCN3C4CCC3CC(OC(c3ccc(F)cc3)c3ccc(F)cc3)C4)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL12619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPSAVXAPYCDAQV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
584.7
MW (Da)
7.86
ALogP
5
HBA
0
HBD
64.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.24 | 7.24 | 57.0 | 2 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 6.34 | 6.34 | 460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 57.0 | nM | 7.24 | Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putam... | 10737741 |
| Sodium-dependent dopamine transporter | Ki | = | 57.0 | nM | 7.24 | Displacement of [3H]WIN-35 428 from the dopamine transporter in rat caudate puta... | 9435902 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 460.0 | nM | 6.34 | 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 |
| 9435902 | 10.1021/jm970525a | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine