Compound Detail
CHEMBL9870
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Basic Information
| ChEMBL ID | CHEMBL9870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHIDPEUFJOUCRS-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
204.3
MW (Da)
2.05
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 7.8 | 7.8 | 15.9 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.71 | 7.71 | 19.4 | 1 |
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | Ki | 7.46 | 7.46 | 34.9 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.93 | 6.93 | 117.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.63 | 6.63 | 232.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.42 | 6.42 | 379.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B | Ki | = | 15.9 | nM | 7.8 | Binding affinity at rat 5-hydroxytryptamine 1B receptor by [3H]5-HT displacement... | 2565400 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 19.4 | nM | 7.71 | Binding affinity at rat 5-hydroxytryptamine 1A receptor by [3H]WB-4101 displacem... | 2565400 |
| Serotonin 1 (5-HT1) receptor | Ki | = | 34.9 | nM | 7.46 | Binding affinity determined in radioreceptor binding assay by using [3H]5-HT rad... | 2565400 |
| Adrenergic receptor alpha-1 | Ki | = | 117.0 | nM | 6.93 | Binding affinity against rat Alpha-1 adrenergic receptor. | 2565400 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 232.0 | nM | 6.63 | Binding affinity at rat 5-hydroxytryptamine 2 receptor by [3H]ketanserin displac... | 2565400 |
| D(2) dopamine receptor | Ki | = | 379.0 | nM | 6.42 | Binding affinity against rat Dopamine receptor D2. | 2565400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2565400 | 10.1021/jm00125a020 | Rattus norvegicus | 1 |
| 2565400 | 10.1021/jm00125a020 | Adrenergic receptor alpha-1 | 1 |
| 2565400 | 10.1021/jm00125a020 | D(1A) dopamine receptor | 1 |
| 2565400 | 10.1021/jm00125a020 | D(2) dopamine receptor | 1 |
| 2565400 | 10.1021/jm00125a020 | 5-hydroxytryptamine receptor 1A | 1 |
| 2565400 | 10.1021/jm00125a020 | 5-hydroxytryptamine receptor 1B | 1 |
| 2565400 | 10.1021/jm00125a020 | Serotonin 1 (5-HT1) receptor | 1 |
| 2565400 | 10.1021/jm00125a020 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine