Compound Detail
CHEMBL3817873
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Basic Information
| ChEMBL ID | CHEMBL3817873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHLMREZUDCHTLB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.2
MW (Da)
3.39
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 2500.0 | nM | 5.6 | Displacement of [125]I-CCK-8 from CCK-A receptor in rat pancreatic membrane afte... | - |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Displacement of [125]I-CCK-8 from CCK-B receptor in guinea pig cerebral cortex a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C6MD00052E | Unchecked | 1 |
| - | 10.1039/C6MD00052E | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine