Compound Detail
CHEMBL436706
KASSININ Enter ChEMBL ID:
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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(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL436706 |
| Name | KASSININ |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | GDBREXONAMPGBA-FJCMUPJRSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1335.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.12
EC50 1 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | EC50 | 9.68 | 9.68 | 0.2 | 1 |
| Substance-P receptor CHEMBL4027 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| Neuromedin-K receptor CHEMBL4429 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | EC50 | = | 0.21 | nM | 9.68 | Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as c... | 23473945 |
| Substance-P receptor | IC50 | = | 75.0 | nM | 7.12 | Tested for inhibition of tachykinin 1 (NK1) receptor in rat brain synaptosomal m... | - |
| Neuromedin-K receptor | IC50 | = | 100.0 | nM | 7.0 | Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected... | 23473945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6182294 | 10.1021/jm00351a001 | Rattus norvegicus | 3 |
| 6182294 | 10.1021/jm00351a001 | Cavia porcellus | 2 |
| 23473945 | 10.1016/j.bmc.2013.01.036 | Neuromedin-K receptor | 2 |
| 6182294 | 10.1021/jm00351a001 | Cricetinae gen. sp. | 1 |
| 6182294 | 10.1021/jm00351a001 | Substance-P receptor | 1 |
| - | 10.1016/S0960-894X(01)80229-8 | Substance-P receptor | 1 |
| 23473945 | 10.1016/j.bmc.2013.01.036 | Substance-K receptor | 1 |
| 23473945 | 10.1016/j.bmc.2013.01.036 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine