Compound Detail
CHEMBL71498
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Basic Information
| ChEMBL ID | CHEMBL71498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCBZQRGPPQVWGF-QGZVFWFLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
255.4
MW (Da)
3.52
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 7.26 | 7.26 | 55.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 55.0 | nM | 7.26 | Binding affinity of compound was determined from inhibition of [125I]- substance... | - |
| Substance-P receptor | IC50 | = | 55.0 | nM | 7.26 | Binding affinity to human Tachykinin receptor 1 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80063-3 | Substance-P receptor | 1 |
| - | 10.1016/S0960-894X(00)80063-3 | Substance-K receptor | 1 |
| - | 10.1016/S0960-894X(00)80063-3 | Neuromedin-K receptor | 1 |
| - | 10.1016/0960-894X(95)00476-A | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine