Compound Detail
CHEMBL13632
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Basic Information
| ChEMBL ID | CHEMBL13632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJFLQDIECOEENG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
366.7
MW (Da)
4.43
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | Ki | 9.59 | 9.59 | 0.3 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 8.55 | 8.55 | 2.8 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.07 | 8.07 | 8.5 | 1 |
| D(2) dopamine receptor CHEMBL3427 | Ki | 5.95 | 5.95 | 1120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 0.26 | nM | 9.59 | Compound was evaluated for affinity towards dopamine D1-like receptor in homogen... | 10843230 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 2.8 | nM | 8.55 | Compound was evaluated for affinity towards cerebral 5-hydroxytryptamine 2C rece... | 10843230 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 8.5 | nM | 8.07 | Compound was evaluated for affinity towards cerebral 5-hydroxytryptamine 2A rece... | 10843230 |
| D(2) dopamine receptor | Ki | = | 1120.0 | nM | 5.95 | Compound was evaluated for affinity towards dopamine D2-like receptor in homogen... | 10843230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10843230 | 10.1016/s0960-894x(00)00185-2 | D(1A) dopamine receptor | 1 |
| 10843230 | 10.1016/s0960-894x(00)00185-2 | D(2) dopamine receptor | 1 |
| 10843230 | 10.1016/s0960-894x(00)00185-2 | 5-hydroxytryptamine receptor 2A | 1 |
| 10843230 | 10.1016/s0960-894x(00)00185-2 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine