Compound Detail
CHEMBL3143146
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Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3143146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOSLBQLVLOJVEM-SXSGAZDGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
855.1
MW (Da)
5.28
ALogP
8
HBA
7
HBD
216.8
PSA (Ų)
0.07
QED
3
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
| Cholecystokinin receptor type A CHEMBL1901 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 59.0 | nM | 7.23 | Inhibitory activity against cholecystokinin type A receptor from rat pancreas bi... | 1433225 |
| Cholecystokinin receptor type A | IC50 | = | 7400.0 | nM | 5.13 | Inhibitory activity against cholecystokinin type A receptor from bovine striatal... | 1433225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433225 | 10.1021/jm00100a033 | Cholecystokinin receptor type A | 2 |
| 1433225 | 10.1021/jm00100a033 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine