Compound Detail
CHEMBL12004
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
Basic Information
| ChEMBL ID | CHEMBL12004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCFAGISVWLBGAX-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
7.42
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 6.95 | 6.95 | 112.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.43 | 6.43 | 367.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.42 | 6.42 | 379.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 5.75 | 5.75 | 1790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 112.0 | nM | 6.95 | Binding affinity at dopamine receptor D3 | 11543687 |
| D(4) dopamine receptor | Ki | = | 120.0 | nM | 6.92 | Binding affinity at human dopamine receptor D4 | 11543687 |
| Sodium-dependent dopamine transporter | Ki | = | 367.0 | nM | 6.43 | Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putam... | 10737741 |
| D(2) dopamine receptor | Ki | = | 379.0 | nM | 6.42 | Binding affinity at human dopamine receptor D2 | 11543687 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 1790.0 | nM | 5.75 | Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate... | 10737741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11543687 | 10.1021/jm010146o | D(3) dopamine receptor | 1 |
| 11543687 | 10.1021/jm010146o | D(2) dopamine receptor | 1 |
| 11543687 | 10.1021/jm010146o | D(4) dopamine receptor | 1 |
| 11543687 | 10.1021/jm010146o | Dopamine receptors; D2 & D3 | 1 |
| 11543687 | 10.1021/jm010146o | Dopamine receptors; D3 & D4 | 1 |
| 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