Compound Detail
CHEMBL281048
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Basic Information
| ChEMBL ID | CHEMBL281048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAKGDRVNCPHAPY-RDTXWAMCSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
262.4
MW (Da)
2.80
ALogP
2
HBA
1
HBD
29.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.87 | 7.87 | 13.4 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 7.87 | 7.87 | 13.4 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.85 | 6.85 | 142.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.58 | 6.58 | 261.0 | 2 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 13.0 | nM | 7.89 | Displacement of [3H]5-HT from rat SERT | 17228858 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 13.4 | nM | 7.87 | Binding affinity towards human 5-hydroxytryptamine 7 receptor | 12825922 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 13.4 | nM | 7.87 | Displacement of [3H]5-HT from over-expressed rat 5-hydroxytryptamine 7 receptor | 10753471 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 142.0 | nM | 6.85 | Binding affinity was measured on cloned human 5-hydroxytryptamine 1A receptor wh... | 10753471 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 140.0 | nM | 6.85 | Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor | 17228858 |
| D(2) dopamine receptor | Ki | = | 261.0 | nM | 6.58 | Binding affinity towards Dopamine receptor D2 | 12825922 |
| D(2) dopamine receptor | Ki | = | 261.0 | nM | 6.58 | Displacement of [3H]raclopride from human Dopamine receptor D2A | 10753471 |
| D(2) dopamine receptor | Ki | = | 260.0 | nM | 6.58 | Displacement of [3H]raclopride from rat dopamine D2 receptor | 17228858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 7 | 1 |
| 12825922 | 10.1021/jm030030n | D(2) dopamine receptor | 1 |
| 10753471 | 10.1021/jm9911433 | 5-hydroxytryptamine receptor 7 | 1 |
| 10753471 | 10.1021/jm9911433 | 5-hydroxytryptamine receptor 1A | 1 |
| 10753471 | 10.1021/jm9911433 | D(2) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | D(2) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | 5-hydroxytryptamine receptor 1A | 1 |
| 17228858 | 10.1021/jm060959i | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine