Compound Detail
CHEMBL2207484
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 | CHEMBL2207484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUENAZOOIPSKQU-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
260.4
MW (Da)
3.90
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 7.57 | 7.47 | 27.0 | 2 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.35 | 7.35 | 45.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | Ki | 4.8 | 4.8 | 15780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 27.0 | nM | 7.57 | Displacement of [3H]methylspiperone from human low affinity Dopamine D2S recepto... | 23043306 |
| D(2) dopamine receptor | Ki | = | 43.0 | nM | 7.37 | Displacement of [3H]7-OH-DPAT from human high affinity Dopamine D2S receptor by ... | 23043306 |
| Sodium-dependent serotonin transporter | Ki | = | 45.0 | nM | 7.35 | Displacement of [3H]imipramine from human SERT expressed in CHO cells by competi... | 23043306 |
| Amine oxidase [flavin-containing] A | Ki | = | 15780.0 | nM | 4.8 | Displacement of [3H]Ro 41-1049 from MAO-A in rat cerebral cortex by competition ... | 23043306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23043306 | 10.1021/jm300975f | Rattus norvegicus | 4 |
| 23043306 | 10.1021/jm300975f | D(2) dopamine receptor | 2 |
| 23043306 | 10.1021/jm300975f | Alpha-2A adrenergic receptor | 1 |
| 23043306 | 10.1021/jm300975f | 5-hydroxytryptamine receptor 2A | 1 |
| 23043306 | 10.1021/jm300975f | 5-hydroxytryptamine receptor 1A | 1 |
| 23043306 | 10.1021/jm300975f | Sodium-dependent dopamine transporter | 1 |
| 23043306 | 10.1021/jm300975f | D(4) dopamine receptor | 1 |
| 23043306 | 10.1021/jm300975f | D(3) dopamine receptor | 1 |
| 23043306 | 10.1021/jm300975f | Amine oxidase [flavin-containing] A | 1 |
| 23043306 | 10.1021/jm300975f | Unchecked | 1 |
| 23043306 | 10.1021/jm300975f | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine