Compound Detail
CHEMBL282331
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Basic Information
| ChEMBL ID | CHEMBL282331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LURXNRSWKKLLDE-SVBPBHIXSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.0
MW (Da)
5.72
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 7.48 | 7.365 | 33.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 33.3 | nM | 7.48 | Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-su... | 1378901 |
| Substance-P receptor | IC50 | = | 56.0 | nM | 7.25 | Binding potency against SP receptor in bovine caudate using [3H]- as radioligand | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1378901 | 10.1021/jm00092a009 | Cavia porcellus | 2 |
| - | 10.1016/S0960-894X(00)80246-2 | Substance-P receptor | 1 |
| 1378901 | 10.1021/jm00092a009 | Substance-P receptor | 1 |
| 1378901 | 10.1021/jm00092a009 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine