Compound Detail
CHEMBL269784
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Basic Information
| ChEMBL ID | CHEMBL269784 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIFCSMQTGWVMOD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
180.2
MW (Da)
1.24
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 7.51 | 7.51 | 30.8 | 1 |
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | Ki | 7.06 | 7.06 | 86.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.94 | 6.94 | 114.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.17 | 6.17 | 670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B | Ki | = | 30.8 | nM | 7.51 | Binding affinity at rat 5-hydroxytryptamine 1B receptor by [3H]5-HT displacement... | 2565400 |
| Serotonin 1 (5-HT1) receptor | Ki | = | 86.5 | nM | 7.06 | Inhibition of [3H]5-HT radioligand binding against 5-hydroxytryptamine 1 recepto... | 2565400 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 114.0 | nM | 6.94 | Binding affinity at rat 5-hydroxytryptamine 1A receptor by [3H]WB-4101 displacem... | 2565400 |
| Adrenergic receptor alpha-1 | Ki | = | 670.0 | nM | 6.17 | Binding affinity against rat Alpha-1 adrenergic receptor. | 2565400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2565400 | 10.1021/jm00125a020 | Rattus norvegicus | 2 |
| 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