Compound Detail
CHEMBL409963
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CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL409963 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | WTMDVOVPFQSBHG-SKGSPYGFSA-N |
2
Targets
4
Activities
3
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1093.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.24
EC50 1 meas. best 6.82
Kd 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | Ki | 7.24 | 7.24 | 57.0 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
| Mus musculus CHEMBL375 | Ki | 6.31 | 6.31 | 490.0 | 1 |
| Cavia porcellus CHEMBL369 | Kd | 6.3 | 6.3 | 501.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| KA | 4.8 | M | Cavia porcellus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | Ki | = | 57.0 | nM | 7.24 | Potency in displacing [3H]Boc(Nle28,Nle31)-CCk27-33 from guinea pig pancreatic a... | 2452253 |
| Cavia porcellus | EC50 | = | 150.0 | nM | 6.82 | Antagonist activity by measuring the ability to stimulate the contraction of the... | 2452253 |
| Mus musculus | Ki | = | 490.0 | nM | 6.31 | Potency in displacing [3H]propionyl-CCK-8 from mouse brain membranes. | 2452253 |
| Cavia porcellus | Kd | = | 501.19 | nM | 6.3 | Antagonist activity by measuring the effect on amylase secretion from guinea pig... | 2452253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2452253 | 10.1021/jm00400a013 | Cavia porcellus | 6 |
| 2452253 | 10.1021/jm00400a013 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine