Compound Detail
CHEMBL333758
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O=C(O)CNC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1C2CC3CC(C2)CC1C3
Basic Information
| ChEMBL ID | CHEMBL333758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGJQYLJNZLUDFM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
3.90
ALogP
3
HBA
3
HBD
95.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | Ki | 5.72 | 5.72 | 1905.5 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 4.69 | 4.69 | 20417.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 1905.46 | nM | 5.72 | Tested for its receptor affinity from competition with 20 pM [125I]BH-CCK-8S for... | 7966125 |
| Cholecystokinin receptor type A | Ki | = | 20417.38 | nM | 4.69 | Tested for its receptor affinity from competition with 20 pM [125I]BH-CCK-8S for... | 7966125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7966125 | 10.1021/jm00048a001 | Rattus norvegicus | 1 |
| 7966125 | 10.1021/jm00048a001 | Gastrin/cholecystokinin type B receptor | 1 |
| 7966125 | 10.1021/jm00048a001 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine