Compound Detail
CHEMBL330917
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CC(C)(C)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C#N)c2)N=C(c2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL330917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHZVVYWSSBHZQF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
493.6
MW (Da)
4.51
ALogP
5
HBA
2
HBD
114.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 1.29 | nM | 8.89 | Inhibitory concentration against radioligand [125I]CCK-8 binding to gastrin/Chol... | 9022799 |
| Cholecystokinin receptor type A | IC50 | = | 700.0 | nM | 6.16 | Inhibitory concentration against radioligand [3 H]L-364,718 binding to gastrin/C... | 9022799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9022799 | 10.1021/jm960669+ | Gastrin/cholecystokinin type B receptor | 1 |
| 9022799 | 10.1021/jm960669+ | Cholecystokinin receptor type A | 1 |
| 9022799 | 10.1021/jm960669+ | Rattus norvegicus | 1 |
| 9022799 | 10.1021/jm960669+ | Cholecystokinin receptor | 1 |
Data from ChEMBL 36 via Core Engine