Compound Detail
CHEMBL441989
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CC(=O)NS(=O)(=O)c1cccc(NC(=O)NC2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1
Basic Information
| ChEMBL ID | CHEMBL441989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXWXOLDASWVADI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
3.01
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 9.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 9.44 | 9.44 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 0.36 | nM | 9.44 | 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 | No relevant target | 2 |
| - | 10.1016/0960-894X(95)00399-E | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/0960-894X(95)00399-E | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine