Compound Detail
CHEMBL410808
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CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(c1ccccc1)c1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL410808 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CKLGDGIPAWRWBO-QUFQHBKWSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1423.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.58
EC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Substance-P receptor CHEMBL4027 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Substance-K receptor CHEMBL4554 | IC50 | 6.17 | 6.17 | 670.0 | 1 |
| Neuromedin-K receptor CHEMBL3154 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | EC50 | = | 15.0 | nM | 7.82 | Effective concentration required for its inhibition of nonspecific binding to gu... | 7515443 |
| Cavia porcellus | IC50 | = | 260.0 | nM | 6.58 | Concentration required to inhibit nonspecific binding of [125I]BH-SP to guinea p... | 7515443 |
| Substance-P receptor | IC50 | = | 500.0 | nM | 6.3 | Concentration required to inhibit the specific binding of [125I]BH-SP to Neuroki... | 7515443 |
| Substance-K receptor | IC50 | = | 670.0 | nM | 6.17 | Concentration required to inhibit the specific binding of [125I]NKA to Neurokini... | 7515443 |
| Neuromedin-K receptor | IC50 | = | 2200.0 | nM | 5.66 | Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurok... | 7515443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7515443 | 10.1021/jm00037a009 | Cavia porcellus | 3 |
| 7515443 | 10.1021/jm00037a009 | Substance-P receptor | 1 |
| 7515443 | 10.1021/jm00037a009 | Substance-K receptor | 1 |
| 7515443 | 10.1021/jm00037a009 | Neuromedin-K receptor | 1 |
Data from ChEMBL 36 via Core Engine