Compound Detail
CHEMBL3143946
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CCCN1C(=O)C2NC(c3ccc(OCC(=O)NCCNC(=O)C(N)CC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](Cc4ccccc4)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)cc3)=NC2N(CCC)C1=O
Basic Information
| ChEMBL ID | CHEMBL3143946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOUAWNKJDSBIGC-LARIJJOSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1140.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor CHEMBL2111386 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| Substance-P receptor CHEMBL4027 | Ki | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor | Ki | = | 35.0 | nM | 7.46 | Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine ... | 2441057 |
| Substance-P receptor | Ki | = | 300.0 | nM | 6.52 | Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat t... | 2441057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2441057 | 10.1021/jm00391a046 | Adenosine receptor | 1 |
| 2441057 | 10.1021/jm00391a046 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine