Compound Detail
CHEMBL446789
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CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2F)c1.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL446789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXFPZWALSQUXQR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL504861 |
| Active Moiety | CHEMBL504861 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
578.6
MW (Da)
6.20
ALogP
6
HBA
1
HBD
87.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | EC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | EC50 | = | 0.3 | nM | 9.52 | Agonist activity against mouse CCK1 receptor | 18614364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18614364 | 10.1016/j.bmcl.2008.06.057 | Mus musculus | 4 |
| 18614364 | 10.1016/j.bmcl.2008.06.057 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine