Compound Detail
CHEMBL3706923
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Basic Information
| ChEMBL ID | CHEMBL3706923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEEIKXULGHBDHP-GKVSMKOHSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
4.25
ALogP
4
HBA
1
HBD
58.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.19 | 7.19 | 64.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 6.94 | 6.94 | 114.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 1.3 | nM | 8.89 | Displacement of [3H]citalopram from human 5HT transporter expressed in HEK293 ce... | 17434731 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 13.0 | nM | 7.89 | Displacement of [3H]8-OH-DPAT from human 5HT1A expressed in LM(tk-) cells | 17434731 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 14.0 | nM | 7.85 | Displacement of [3H]GR-125743 from human 5HT1D expressed in LM(tk-) cells | 17434731 |
| D(2) dopamine receptor | Ki | = | 26.0 | nM | 7.58 | Displacement of [3H]raclopride from dopamine D2 receptor in rat caudate membrane... | 17434731 |
| Adrenergic receptor alpha-1 | Ki | = | 64.0 | nM | 7.19 | Displacement of [3H]prazosin from adrenergic alpha-1 receptor in rat cortical me... | 17434731 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 114.0 | nM | 6.94 | Displacement of [3H]GR-125743 from human 5HT1B expressed in LM(tk-) cells | 17434731 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17434731 | 10.1016/j.bmcl.2007.03.101 | 5-hydroxytryptamine receptor 1D | 2 |
| 17434731 | 10.1016/j.bmcl.2007.03.101 | Sodium-dependent serotonin transporter | 1 |
| 17434731 | 10.1016/j.bmcl.2007.03.101 | 5-hydroxytryptamine receptor 1B | 1 |
| 17434731 | 10.1016/j.bmcl.2007.03.101 | Adrenergic receptor alpha-1 | 1 |
| 17434731 | 10.1016/j.bmcl.2007.03.101 | D(2) dopamine receptor | 1 |
| 17434731 | 10.1016/j.bmcl.2007.03.101 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine