Compound Detail
CHEMBL2371916
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CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2371916 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | FHHJIELOJQJHCG-TYDLSAGMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
869.1
MW (Da)
-1.85
ALogP
11
HBA
10
HBD
329.9
PSA (Ų)
0.05
QED
3
Ro5 Violations
28
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL4027 | Ki | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | Ki | = | 180.0 | nM | 6.75 | Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat t... | 2441057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6183431 | 10.1021/jm00353a009 | Cavia porcellus | 3 |
| 6183431 | 10.1021/jm00353a009 | Rattus norvegicus | 1 |
| 2441057 | 10.1021/jm00391a046 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine