Compound Detail
CHEMBL2021373
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O=C(O)CCC(=O)NC(CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL2021373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSFYBKCBNWVOCN-FHNBMSKRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
600.7
MW (Da)
4.47
ALogP
5
HBA
5
HBD
149.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | Ki | 6.45 | 6.45 | 354.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 354.81 | nM | 6.45 | Cholecystokinin type B receptor binding assay performed on homogenized cerebral ... | 1578483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1578483 | 10.1021/jm00087a011 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine