Compound Detail
CHEMBL1791005
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CCCC[C@H](NC(=O)Cc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N(C)[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC
Basic Information
| ChEMBL ID | CHEMBL1791005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSNSFSIUYVVQGZ-RPLNLGJPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
991.1
MW (Da)
1.80
ALogP
11
HBA
8
HBD
316.8
PSA (Ų)
0.04
QED
3
Ro5 Violations
27
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | Ki | 9.28 | 9.28 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | Ki | = | 0.53 | nM | 9.28 | Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat... | 9435899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435899 | 10.1021/jm970477u | Rattus norvegicus | 2 |
| 9435899 | 10.1021/jm970477u | Cholecystokinin receptor type A | 1 |
| 9435899 | 10.1021/jm970477u | Gastrin/cholecystokinin type B receptor | 1 |
| 9435899 | 10.1021/jm970477u | Cholecystokinin receptor | 1 |
Data from ChEMBL 36 via Core Engine