Compound Detail
CHEMBL2112607
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Basic Information
| ChEMBL ID | CHEMBL2112607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGOAURMKLDUSEO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
4.16
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 10.55 | 10.55 | 0.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 9.68 | 9.68 | 0.2 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 7.08 | 7.08 | 84.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.028 | nM | 10.55 | Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue | 8246241 |
| D(3) dopamine receptor | Ki | = | 0.21 | nM | 9.68 | In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ... | 8246241 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 84.0 | nM | 7.08 | In vitro binding affinity on 5-hydroxytryptamine 2 receptor is inhibition of bin... | 8246241 |
| Adrenergic receptor alpha-2 | Ki | = | 1300.0 | nM | 5.89 | In vitro binding affinity on alpha-2 receptor is inhibition of binding of [3H]- ... | 8246241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8246241 | 10.1021/jm00075a028 | Rattus norvegicus | 21 |
| 8246241 | 10.1021/jm00075a028 | D(2) dopamine receptor | 1 |
| 8246241 | 10.1021/jm00075a028 | Serotonin 2 (5-HT2) receptor | 1 |
| 8246241 | 10.1021/jm00075a028 | Adrenergic receptor alpha-2 | 1 |
| 8246241 | 10.1021/jm00075a028 | No relevant target | 1 |
| 8246241 | 10.1021/jm00075a028 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine