Compound Detail
CHEMBL2037523
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Basic Information
| ChEMBL ID | CHEMBL2037523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTLWNSMULUTOGN-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
4.63
ALogP
3
HBA
0
HBD
16.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.96 | 6.96 | 111.0 | 1 |
| D(4) dopamine receptor CHEMBL3361 | Ki | 6.85 | 6.85 | 141.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.73 | 6.73 | 186.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.68 | 6.68 | 211.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.0 | 6.0 | 990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 111.0 | nM | 6.96 | Displacement of [3H]8-OH-DPAT from human 5HT1A receptor by liquid scintillation ... | 22520153 |
| D(4) dopamine receptor | Ki | = | 141.0 | nM | 6.85 | Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by liquid sc... | 22520153 |
| Sodium-dependent serotonin transporter | Ki | = | 186.0 | nM | 6.73 | Displacement of [3H]Citalopram from human SERT by liquid scintillation counting | 22520153 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 211.0 | nM | 6.68 | Displacement of [3H]LSD from human 5HT7 receptor by liquid scintillation countin... | 22520153 |
| D(2) dopamine receptor | Ki | = | 990.0 | nM | 6.0 | Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid ... | 22520153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22520153 | 10.1016/j.ejmech.2012.03.042 | 5-hydroxytryptamine receptor 1A | 1 |
| 22520153 | 10.1016/j.ejmech.2012.03.042 | Sodium-dependent serotonin transporter | 1 |
| 22520153 | 10.1016/j.ejmech.2012.03.042 | 5-hydroxytryptamine receptor 2A | 1 |
| 22520153 | 10.1016/j.ejmech.2012.03.042 | 5-hydroxytryptamine receptor 2C | 1 |
| 22520153 | 10.1016/j.ejmech.2012.03.042 | 5-hydroxytryptamine receptor 7 | 1 |
| 22520153 | 10.1016/j.ejmech.2012.03.042 | D(2) dopamine receptor | 1 |
| 22520153 | 10.1016/j.ejmech.2012.03.042 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine