Compound Detail
CHEMBL59413
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Basic Information
| ChEMBL ID | CHEMBL59413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWIWOPFCNLLGBQ-MUUNZHRXSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
3.48
ALogP
3
HBA
2
HBD
62.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-K receptor CHEMBL4554 | Ki | 9.5 | 8.95 | 0.3 | 2 |
| Neuromedin-K receptor CHEMBL3799 | Ki | 4.4 | 4.4 | 39810.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-K receptor | Ki | = | 0.3162 | nM | 9.5 | Binding affinity by displacement of radiolabeled GR-100679 from Tachykinin recep... | - |
| Substance-K receptor | Ki | = | 3.981 | nM | 8.4 | Binding affinity by displacement of radiolabeled GR-100679 from Tachykinin recep... | - |
| Neuromedin-K receptor | Ki | = | 39810.72 | nM | 4.4 | Tested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in gui... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80541-2 | Substance-K receptor | 3 |
| - | 10.1016/S0960-894X(01)80541-2 | Cavia porcellus | 2 |
| - | 10.1016/S0960-894X(01)80541-2 | Neuromedin-K receptor | 1 |
Data from ChEMBL 36 via Core Engine