Compound Detail
CHEMBL2369762
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CCCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2369762 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | RTFGZAILZBYXIJ-GKXKVECMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
592.7
MW (Da)
1.28
ALogP
6
HBA
7
HBD
209.5
PSA (Ų)
0.11
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 5.07 | 5.07 | 8490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 2.83 | nM | 8.55 | Concentration producing half-maximal inhibition of specific binding of [125I]Bol... | - |
| Cholecystokinin receptor type A | IC50 | = | 8490.0 | nM | 5.07 | Concentration producing half-maximal inhibition of specific binding of [125I]Bol... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(94)85022-4 | Cholecystokinin receptor type A | 1 |
| - | 10.1016/0960-894X(94)85022-4 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine