Compound Detail
CHEMBL434126
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Cc1cccc(NC(=O)NC2N=C(c3c[nH]cn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Basic Information
| ChEMBL ID | CHEMBL434126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSMKRXSKTRURHZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
3.67
ALogP
5
HBA
3
HBD
119.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | IC50 | 7.58 | 7.58 | 26.1 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.63 | 6.63 | 232.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 26.1 | nM | 7.58 | Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain ... | - |
| Cholecystokinin receptor type A | IC50 | = | 232.0 | nM | 6.63 | 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