Compound Detail
CHEMBL91542
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Basic Information
| ChEMBL ID | CHEMBL91542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNXAJQBRLDGPQZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
4.20
ALogP
2
HBA
1
HBD
42.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 9.38 | 9.38 | 0.4 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.42 | nM | 9.38 | Displacement of [3H]spiperone from CHO cells expressing human Dopamine receptor ... | 11133071 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2.6 | nM | 8.59 | Displacement of [3H]ketanserin from CHO cells expressing human 5-hydroxytryptami... | 11133071 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 160.0 | nM | 6.8 | Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptam... | 11133071 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11133071 | 10.1016/s0960-894x(00)00557-6 | 5-hydroxytryptamine receptor 2A | 1 |
| 11133071 | 10.1016/s0960-894x(00)00557-6 | 5-hydroxytryptamine receptor 2C | 1 |
| 11133071 | 10.1016/s0960-894x(00)00557-6 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine