Compound Detail
CHEMBL152306
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Cc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1
Basic Information
| ChEMBL ID | CHEMBL152306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNIXNHYHBPXENI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
517.6
MW (Da)
4.91
ALogP
5
HBA
2
HBD
103.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | IC50 | 9.89 | 9.89 | 0.1 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 0.13 | nM | 9.89 | Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain ... | - |
| Cholecystokinin receptor type A | IC50 | = | 980.0 | nM | 6.01 | Binding affinity towards Cholecystokinin type A receptor from rat pancreas using... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00557-A | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/0960-894X(95)00557-A | Cholecystokinin receptor type A | 1 |
| - | 10.1016/0960-894X(95)00557-A | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine