Compound Detail
CHEMBL2164338
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Basic Information
| ChEMBL ID | CHEMBL2164338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAWQJOXWPKFHLG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
2.67
ALogP
4
HBA
1
HBD
58.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.98 | 6.98 | 105.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 7.0 | nM | 8.15 | Displacement of [3H]-5-CT from human cloned 5HT7 receptor | 22738316 |
| Adrenergic receptor alpha-1 | Ki | = | 105.0 | nM | 6.98 | Displacement of [3H]prazoin from rat cerebral cortex adrenergic alpha1 receptor | 22738316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22738316 | 10.1021/jm3003679 | Adrenergic receptor alpha-1 | 1 |
| 22738316 | 10.1021/jm3003679 | 5-hydroxytryptamine receptor 7 | 1 |
| 22738316 | 10.1021/jm3003679 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine