Compound Detail
CHEMBL2037518
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Basic Information
| ChEMBL ID | CHEMBL2037518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAMJESJLDAFTKX-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
5.14
ALogP
4
HBA
0
HBD
33.2
PSA (Ų)
0.57
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL3361 | Ki | 7.35 | 7.35 | 44.4 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.07 | 7.07 | 85.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.54 | 6.54 | 287.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.37 | 6.37 | 425.8 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.28 | 6.28 | 530.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.15 | 6.15 | 706.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 44.4 | nM | 7.35 | Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by liquid sc... | 22520153 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 85.0 | nM | 7.07 | Displacement of [3H]8-OH-DPAT from human 5HT1A receptor by liquid scintillation ... | 22520153 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 287.0 | nM | 6.54 | Displacement of [3H]Ketanserin from human 5HT2A receptor by liquid scintillation... | 22520153 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 425.8 | nM | 6.37 | Displacement of [3H]LSD from human 5HT7 receptor by liquid scintillation countin... | 22520153 |
| D(2) dopamine receptor | Ki | = | 530.0 | nM | 6.28 | Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid ... | 22520153 |
| Sodium-dependent serotonin transporter | Ki | = | 706.0 | nM | 6.15 | Displacement of [3H]Citalopram from human SERT by liquid scintillation counting | 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