Compound Detail
CHEMBL32940
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Basic Information
| ChEMBL ID | CHEMBL32940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYSLMXDXDTVHKA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.80
ALogP
1
HBA
1
HBD
36.1
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 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | IC50 | 5.46 | 5.41 | 3500.0 | 2 |
| Substance-P receptor CHEMBL249 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | IC50 | = | 3500.0 | nM | 5.46 | Concentration producing half-maximal inhibition of specific binding of [3H]senkt... | - |
| Substance-P receptor | IC50 | = | 3700.0 | nM | 5.43 | Tested for binding affinity against [125I]BH-SP binding to neurokinin-1 (NK-1) r... | - |
| Neuromedin-K receptor | IC50 | = | 4400.0 | nM | 5.36 | Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00570-7 | Substance-P receptor | 1 |
| - | 10.1016/S0960-894X(96)00570-7 | Substance-K receptor | 1 |
| - | 10.1016/S0960-894X(96)00570-7 | Neuromedin-K receptor | 1 |
| - | 10.1016/0960-894X(95)00254-Q | Neuromedin-K receptor | 1 |
| - | 10.1016/0960-894X(95)00254-Q | Substance-K receptor | 1 |
Data from ChEMBL 36 via Core Engine