Compound Detail
CHEMBL170207
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CCCC[C@H](NC(=O)c1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(=O)O
Basic Information
| ChEMBL ID | CHEMBL170207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAAFGBNICGQDQE-IGKWTDBASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
2.87
ALogP
4
HBA
4
HBD
131.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2798 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 1400.0 | nM | 5.85 | Concentration producing half-maximal inhibition of specific binding of [125I]- C... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80253-5 | Cholecystokinin receptor type A | 1 |
| - | 10.1016/S0960-894X(01)80253-5 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine