Compound Detail
CHEMBL2370879
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CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2370879 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | WXVQNFOMPPUFDV-FWEHEUNISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
662.7
MW (Da)
1.77
ALogP
7
HBA
6
HBD
213.0
PSA (Ų)
0.16
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 750.0 | nM | 6.12 | Compound was tested for its inhibitory activity in cortical cholecystokinin type... | 1992147 |
| Cholecystokinin receptor type A | IC50 | = | 2100.0 | nM | 5.68 | Compound was tested for its inhibitory activity in pancreatic cholecystokinin ty... | 1992147 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992147 | 10.1021/jm00105a068 | Gastrin/cholecystokinin type B receptor | 1 |
| 1992147 | 10.1021/jm00105a068 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine