Compound Detail
CHEMBL118930
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CC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2)c2ccccc2C(=O)C[C@H]1C(=O)NCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL118930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LULFDNNADUTNOM-HIYXNICHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
585.7
MW (Da)
4.20
ALogP
5
HBA
2
HBD
124.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | Ki | 6.76 | 6.76 | 173.8 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 173.78 | nM | 6.76 | Displacement of binding of [125I]CCK-8S to Cholecystokinin type B receptor in mo... | 11000006 |
| Cholecystokinin receptor type A | Ki | = | 7943.28 | nM | 5.1 | Displacement of [125I]BH-CCK-8S from CC1 receptor expressed in guinea pig pancre... | 18201065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11000006 | 10.1021/jm000960w | Gastrin/cholecystokinin type B receptor | 2 |
| 18201065 | 10.1021/jm070880t | Gastrin/cholecystokinin type B receptor | 1 |
| 18201065 | 10.1021/jm070880t | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine