Compound Detail
CHEMBL88239
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CC(C)N(C(=O)CN1C(=O)C(C)(CC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL88239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJGGQFHEPYGYPC-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
574.7
MW (Da)
6.17
ALogP
4
HBA
1
HBD
90.0
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL1901 | IC50 | 7.12 | 7.12 | 75.9 | 3 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 5.08 | 5.08 | 8317.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 75.86 | nM | 7.12 | Binding affinity against human Cholecystokinin type A receptor | 8709093 |
| Cholecystokinin receptor type A | IC50 | = | 75.86 | nM | 7.12 | Binding affinity against human Cholecystokinin type A receptor in membrane prepa... | 8709137 |
| Cholecystokinin receptor type A | IC50 | = | 75.86 | nM | 7.12 | Displacement of [125I]Bolton-Hunter CCK8 from human Cholecystokinin A receptor e... | 32805118 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 8317.64 | nM | 5.08 | Binding affinity against human Cholecystokinin type B receptor | 8709093 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 8317.64 | nM | 5.08 | Binding affinity against human Cholecystokinin type B receptor in CHO-K1 cells u... | 8709137 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 8317.64 | nM | 5.08 | Displacement of [125I]Bolton-Hunter CCK8 from human Cholecystokinin B receptor e... | 32805118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709093 | 10.1021/jm960249k | Mus musculus | 4 |
| 8709137 | 10.1021/jm960205b | Mus musculus | 3 |
| 8709093 | 10.1021/jm960249k | Cavia porcellus | 2 |
| 8709137 | 10.1021/jm960205b | Cholecystokinin receptor type A | 2 |
| 32805118 | 10.1021/acs.jmedchem.0c00829 | Cholecystokinin receptor type A | 2 |
| 8709093 | 10.1021/jm960249k | Cholecystokinin receptor type A | 1 |
| 8709093 | 10.1021/jm960249k | Gastrin/cholecystokinin type B receptor | 1 |
| 8709093 | 10.1021/jm960249k | Cholecystokinin receptor | 1 |
| 8709137 | 10.1021/jm960205b | Cavia porcellus | 1 |
| 8709137 | 10.1021/jm960205b | Gastrin/cholecystokinin type B receptor | 1 |
| 8709137 | 10.1021/jm960205b | Cholecystokinin receptor | 1 |
| 32805118 | 10.1021/acs.jmedchem.0c00829 | Gastrin/cholecystokinin type B receptor | 1 |
| 32805118 | 10.1021/acs.jmedchem.0c00829 | Cholecystokinin(CCK) A/B | 1 |
Data from ChEMBL 36 via Core Engine