Compound Detail
CHEMBL435564
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Basic Information
| ChEMBL ID | CHEMBL435564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTLSINNHNFLIHS-PXLXIMEGSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
333.5
MW (Da)
4.96
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 6.92 | 6.6733 | 120.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 120.0 | nM | 6.92 | Inhibition of binding of [125I]SP to the CHO cell line expressing human Tachykin... | 7490729 |
| Substance-P receptor | IC50 | = | 129.0 | nM | 6.89 | Binding affinity towards wild type human Wild-type tachykinin receptor 1 express... | - |
| Substance-P receptor | IC50 | = | 615.0 | nM | 6.21 | Binding affinity towards human mutant NK-1 receptor in which His-197 has been re... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00205-8 | Substance-P receptor | 2 |
| 7490729 | 10.1021/jm00024a007 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine