Compound Detail
CHEMBL100502
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Basic Information
| ChEMBL ID | CHEMBL100502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXVCCRYFYIWBQK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
3.54
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 7.74 | 7.74 | 18.3 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 5.28 | 5.28 | 5310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 18.3 | nM | 7.74 | Displacement of [125I]-BH CCK-8S from Cholecystokinin type B receptor in guinea ... | - |
| Cholecystokinin receptor type A | IC50 | = | 5310.0 | nM | 5.28 | Displacement of [125I]-BH CCK-8S from Cholecystokinin type A receptor in rat pan... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00530-0 | Cholecystokinin receptor type A | 1 |
| - | 10.1016/0960-894X(95)00530-0 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine