Compound Detail
CHEMBL431690
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Basic Information
| ChEMBL ID | CHEMBL431690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVHVLAGNGAWUQU-SVBPBHIXSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
382.6
MW (Da)
5.07
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.64
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 10.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 10.07 | 7.838 | 0.1 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 0.085 | nM | 10.07 | Inhibition of binding of [125I]SP to the CHO cell line expressing human Tachykin... | 7490729 |
| Substance-P receptor | IC50 | = | 16.0 | nM | 7.8 | Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-su... | 1378901 |
| Substance-P receptor | IC50 | = | 28.84 | nM | 7.54 | Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed... | 9733486 |
| Substance-P receptor | IC50 | = | 110.0 | nM | 6.96 | Binding potency against SP receptor in bovine caudate using [3H]- as radioligand | - |
| Substance-P receptor | IC50 | = | 150.0 | nM | 6.82 | Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in C... | - |
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 |
| 7490729 | 10.1021/jm00024a007 | Substance-P receptor | 1 |
| - | 10.1016/S0960-894X(00)80349-2 | Substance-P receptor | 1 |
| 1378901 | 10.1021/jm00092a009 | Substance-P receptor | 1 |
| 1378901 | 10.1021/jm00092a009 | Rattus norvegicus | 1 |
| 9733486 | 10.1021/jm9700171 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine