Compound Detail
CHEMBL368803
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O=C(O)C[C@H](Cc1ccccc1)NC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3
Basic Information
| ChEMBL ID | CHEMBL368803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKJDKQMSFOKPDW-UWPYXOIDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
541.6
MW (Da)
5.26
ALogP
4
HBA
4
HBD
120.5
PSA (Ų)
0.28
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 13.0 | nM | 7.89 | Compound measured for half-maximal inhibition of specific binding of [125I]bolto... | - |
| Cholecystokinin receptor type A | IC50 | = | 550.0 | nM | 6.26 | Compound measured for half-maximal inhibition of specific binding of [125I]-Bolt... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80273-5 | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/S0960-894X(00)80273-5 | Cholecystokinin receptor type A | 1 |
| - | 10.1016/S0960-894X(00)80273-5 | Cholecystokinin receptor | 1 |
Data from ChEMBL 36 via Core Engine