Compound Detail
CHEMBL330521
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CC(C)N(C(=O)CN1C(=O)C(Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)c2ccccc21)c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL330521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOXHZBJMXMSEOS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
575.6
MW (Da)
6.01
ALogP
4
HBA
1
HBD
89.6
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL1901 | IC50 | 6.86 | 6.86 | 138.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 6.32 | 6.32 | 478.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 138.04 | nM | 6.86 | In vitro for binding affinity against human cholecystokinin type A receptor. | 9276016 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 478.63 | nM | 6.32 | In vitro for binding affinity against human cholecystokinin type B receptor. | 9276016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9276016 | 10.1021/jm970265x | Cavia porcellus | 2 |
| 9276016 | 10.1021/jm970265x | Cholecystokinin receptor type A | 1 |
| 9276016 | 10.1021/jm970265x | Gastrin/cholecystokinin type B receptor | 1 |
| 9276016 | 10.1021/jm970265x | Cholecystokinin receptor | 1 |
Data from ChEMBL 36 via Core Engine