Compound Detail
CHEMBL345869
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CC(C)N(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccc(N(C)C)cc1.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL345869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQWPDVNFHFFPFP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1184355 |
| Active Moiety | CHEMBL1184355 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
604.7
MW (Da)
5.40
ALogP
5
HBA
2
HBD
105.3
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL1901 | IC50 | 7.2 | 7.2 | 63.1 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 6.6 | 6.6 | 251.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 63.1 | nM | 7.2 | Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecys... | 8558528 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 251.19 | nM | 6.6 | Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecys... | 8558528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558528 | 10.1021/jm950626d | Cavia porcellus | 5 |
| 8558528 | 10.1021/jm950626d | Rattus norvegicus | 2 |
| 8558528 | 10.1021/jm950626d | Cholecystokinin receptor type A | 1 |
| 8558528 | 10.1021/jm950626d | Gastrin/cholecystokinin type B receptor | 1 |
| 8558528 | 10.1021/jm950626d | Cholecystokinin receptor | 1 |
Data from ChEMBL 36 via Core Engine