Compound Detail
CHEMBL31714
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Basic Information
| ChEMBL ID | CHEMBL31714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXTYGLAQRALLEG-LFYBBSHMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
7.23
ALogP
6
HBA
0
HBD
52.8
PSA (Ų)
0.25
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| Platelet-activating factor receptor CHEMBL5136 | Ki | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | Ki | = | 34.0 | nM | 7.47 | Displacement of [3H]leukotriene D4 (LTD4) from receptor in guinea pig lung membr... | - |
| Platelet-activating factor receptor | Ki | = | 37.0 | nM | 7.43 | Displacement of [3H]ligand from platelet activating factor (PAF) receptor in rab... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00227-K | Cavia porcellus | 3 |
| - | 10.1016/0960-894X(95)00227-K | Cysteinyl leukotriene receptor 1 | 1 |
| - | 10.1016/0960-894X(95)00227-K | Platelet-activating factor receptor | 1 |
| - | 10.1016/0960-894X(95)00227-K | Adrenergic receptor alpha-1 | 1 |
| - | 10.1016/0960-894X(95)00227-K | Adrenergic receptor alpha-2 | 1 |
| - | 10.1016/0960-894X(95)00227-K | Adrenergic receptor beta | 1 |
| - | 10.1016/0960-894X(95)00227-K | D(2) dopamine receptor | 1 |
| - | 10.1016/0960-894X(95)00227-K | Adenosine receptor A1 | 1 |
| - | 10.1016/0960-894X(95)00227-K | Unchecked | 1 |
| - | 10.1016/0960-894X(95)00227-K | Serotonin 2 (5-HT2) receptor | 1 |
| - | 10.1016/0960-894X(95)00227-K | Histamine H1 receptor | 1 |
| - | 10.1016/0960-894X(95)00227-K | Muscarinic acetylcholine receptor | 1 |
| - | 10.1016/0960-894X(95)00227-K | Mu-type opioid receptor | 1 |
| - | 10.1016/0960-894X(95)00227-K | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine