Compound Detail
CHEMBL121703
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CC(C)(C)CCN1C(=O)C(NC(=O)Nc2cccc(OC(F)(F)F)c2)C(=O)N(c2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL121703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJIPGRSQMXNQHV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
554.6
MW (Da)
6.22
ALogP
4
HBA
2
HBD
91.0
PSA (Ų)
0.35
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | Ki | 8.54 | 8.54 | 2.9 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | Ki | 6.95 | 6.95 | 112.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 2.884 | nM | 8.54 | In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B rece... | 11020274 |
| Cholecystokinin receptor type A | Ki | = | 112.2 | nM | 6.95 | In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type A rece... | 11020274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11020274 | 10.1021/jm990967h | Cholecystokinin receptor type A | 1 |
| 11020274 | 10.1021/jm990967h | Gastrin/cholecystokinin type B receptor | 1 |
| 11020274 | 10.1021/jm990967h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine