Compound Detail
CHEMBL169615
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C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL169615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVQSSYMRZKLFDR-UKWUEPKQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
614.7
MW (Da)
4.86
ALogP
5
HBA
5
HBD
149.6
PSA (Ų)
0.20
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 160.0 | nM | 6.8 | Inhibition of [125I]CCK-8 to Cholecystokinin type B receptor in the mouse cerebr... | - |
| Cholecystokinin receptor type A | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor of rat panc... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80685-X | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/S0960-894X(00)80685-X | Cholecystokinin receptor type A | 1 |
| - | 10.1016/S0960-894X(00)80685-X | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine