Compound Detail
CHEMBL80230
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Basic Information
| ChEMBL ID | CHEMBL80230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIPVMDNBQLPSHM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
4.23
ALogP
6
HBA
2
HBD
73.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 9.39 | 9.39 | 0.4 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.12 | 8.12 | 7.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.41 | nM | 9.39 | Binding affinity for dopamine receptor D2 determined using [3H]spiperone | 11527728 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 7.6 | nM | 8.12 | Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]8-OH-D... | 11527728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11527728 | 10.1016/s0960-894x(01)00425-5 | Rattus norvegicus | 2 |
| 11527728 | 10.1016/s0960-894x(01)00425-5 | D(2) dopamine receptor | 1 |
| 11527728 | 10.1016/s0960-894x(01)00425-5 | 5-hydroxytryptamine receptor 1A | 1 |
| 11527728 | 10.1016/s0960-894x(01)00425-5 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine