Compound Detail
CHEMBL163010
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CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL163010 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | SOAQPVOWAVHTOH-HJOGWXRNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
622.7
MW (Da)
0.89
ALogP
7
HBA
7
HBD
221.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor CHEMBL2111334 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor | Ki | = | 1600.0 | nM | 5.8 | Displacement of [3H]pentagastrin from Cholecystokinin receptor of mouse cerebral... | 3560164 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3560164 | 10.1021/jm00387a027 | Cholecystokinin receptor | 1 |
Data from ChEMBL 36 via Core Engine