Compound Detail
CHEMBL276613
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Cc1ccccc1NC(=O)NCCCC[C@@H](CC(=O)O)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N21
Basic Information
| ChEMBL ID | CHEMBL276613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRQVDSCOJCYNGL-PQMADMOESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
694.8
MW (Da)
4.92
ALogP
6
HBA
6
HBD
182.0
PSA (Ų)
0.11
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.49 | 6.49 | 324.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 324.2 | nM | 6.49 | Inhibition of [3H]propionyl-CCK-8 specific binding to rat pancreatic Cholecystok... | 11755332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11755332 | 10.1016/s0960-894x(01)00630-8 | Cholecystokinin receptor type A | 1 |
| 11755332 | 10.1016/s0960-894x(01)00630-8 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine