Compound Detail
CHEMBL26962
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Basic Information
| ChEMBL ID | CHEMBL26962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDSKONMZWSLWOI-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
3.29
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.22 | 9.22 | 0.6 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 9.05 | 9.05 | 0.9 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.78 | 6.78 | 168.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.02 | 6.02 | 963.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.6026 | nM | 9.22 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
| D(3) dopamine receptor | Ki | = | 0.9 | nM | 9.05 | Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO ... | 26723530 |
| D(2) dopamine receptor | Ki | = | 168.0 | nM | 6.78 | Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK... | 26723530 |
| Alpha-1A adrenergic receptor | Ki | = | 963.0 | nM | 6.02 | Displacement of [3H]-prazosin from human ADRA1A receptor | 26723530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26723530 | 10.1016/j.bmcl.2015.12.068 | Unchecked | 2 |
| 8568799 | 10.1021/jm950410b | 5-hydroxytryptamine receptor 1A | 1 |
| 26723530 | 10.1016/j.bmcl.2015.12.068 | D(2) dopamine receptor | 1 |
| 26723530 | 10.1016/j.bmcl.2015.12.068 | D(3) dopamine receptor | 1 |
| 26723530 | 10.1016/j.bmcl.2015.12.068 | Alpha-1A adrenergic receptor | 1 |
| 26723530 | 10.1016/j.bmcl.2015.12.068 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine