Compound Detail
CHEMBL4572516
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4572516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIIAEWHLKYMXHR-DKQBRMHGSA-N |
2
Targets
3
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1771.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.99
EC50 1 meas. best 9.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL1901 | EC50 | 9.81 | 9.81 | 0.2 | 1 |
| Cholecystokinin receptor type A CHEMBL1901 | IC50 | 8.99 | 8.99 | 1.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 5.31 | 5.31 | 4897.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 45.0 | hr | Sus scrofa |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | EC50 | = | 0.1549 | nM | 9.81 | Agonist activity at human CCK1R expressed in human 1321N1 cells assessed as IP1 ... | 30624060 |
| Cholecystokinin receptor type A | IC50 | = | 1.023 | nM | 8.99 | Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell mem... | 30624060 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 4897.79 | nM | 5.31 | Displacement of [125I]-CCK-8 from human CCK2R expressed in human 1321N1 cell mem... | 30624060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30624060 | 10.1021/acs.jmedchem.8b01558 | Sus scrofa | 4 |
| 30624060 | 10.1021/acs.jmedchem.8b01558 | ADMET | 3 |
| 30624060 | 10.1021/acs.jmedchem.8b01558 | Cholecystokinin receptor type A | 2 |
| 30624060 | 10.1021/acs.jmedchem.8b01558 | Gastrin/cholecystokinin type B receptor | 2 |
Data from ChEMBL 36 via Core Engine