Compound Detail
CHEMBL75892
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CN1C(=O)C(NC(=O)Nc2cccc(C(=O)NS(C)(=O)=O)c2)N=C(C2CCCCC2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL75892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXIBARNSSWCFSM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
2.87
ALogP
6
HBA
3
HBD
137.0
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 9.24 | 9.24 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 0.58 | nM | 9.24 | Binding affinity towards Cholecystokinin type B receptor was measured by displac... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00399-E | Rattus norvegicus | 3 |
| - | 10.1016/0960-894X(95)00399-E | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/0960-894X(95)00399-E | Unchecked | 1 |
| - | 10.1016/0960-894X(95)00399-E | No relevant target | 1 |
| - | 10.1016/0960-894X(95)00399-E | ADMET | 1 |
Data from ChEMBL 36 via Core Engine