Compound Detail
CHEMBL51280
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Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)c2nnc(C(Cl)(Cl)Cl)n2-c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL51280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTKHLMVKNVJQNV-OAQYLSRUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
524.8
MW (Da)
6.85
ALogP
4
HBA
1
HBD
58.9
PSA (Ų)
0.26
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 25000.0 | nM | 4.6 | Displacement of [125I]CCK from Cholecystokinin receptor of rat pancreas | 3336017 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3336017 | 10.1021/jm00396a028 | Cholecystokinin receptor type A | 1 |
| 3336017 | 10.1021/jm00396a028 | Unchecked | 1 |
| 3336017 | 10.1021/jm00396a028 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine