Compound Detail
CHEMBL320980
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COc1ccc(N(C(=O)CN2C(=O)C(NC(=O)Nc3cccc(C(=O)c4ccccc4)c3)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL320980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZOQTTQGXSENKL-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
695.8
MW (Da)
6.57
ALogP
6
HBA
2
HBD
128.4
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.34
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 6.34 | 6.34 | 460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 80.0 | nM | 7.1 | Displacement of 125I]-D-Tyr-Gly-[(Nle28,31)CCK-26-33] from rat cell membrane Cho... | 9873689 |
| Rattus norvegicus | EC50 | = | 460.0 | nM | 6.34 | Compound was tested in vitro for its ability to stimulate dispersed rat pancreat... | 9873689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873689 | 10.1016/s0960-894x(98)00548-4 | Cholecystokinin receptor type A | 2 |
| 9873689 | 10.1016/s0960-894x(98)00548-4 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine