Compound Detail
CHEMBL4126738
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CCCCCCCCCCCCCCCCC(=O)[C@H](CCN[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC)C(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4126738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWXNRZLNFCWOKF-JTRMNSRMSA-N |
3
Targets
6
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
4728.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 10.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | EC50 | 10.54 | 10.54 | 0.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 9.89 | 9.29 | 0.1 | 2 |
| Gastric inhibitory polypeptide receptor CHEMBL4383 | EC50 | 8.69 | 8.69 | 2.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 254.0 | ng.hr.mL-1 | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | EC50 | = | 0.029 | nM | 10.54 | Agonist activity at human glucagon receptor expressed in HEK293 cells assessed a... | 29879354 |
| Unchecked | EC50 | = | 0.129 | nM | 9.89 | Agonist activity at monkey glucagon receptor expressed in HEK293 cells assessed ... | 29879354 |
| Gastric inhibitory polypeptide receptor | EC50 | = | 2.032 | nM | 8.69 | Agonist activity at human GIP receptor expressed in HEK293 cells assessed as cAM... | 29879354 |
| Unchecked | EC50 | = | 2.05 | nM | 8.69 | Agonist activity at monkey GIP receptor expressed in HEK293 cells assessed as cA... | 29879354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29879354 | 10.1021/acs.jmedchem.8b00292 | ADMET | 6 |
| 29879354 | 10.1021/acs.jmedchem.8b00292 | Unchecked | 4 |
| 29879354 | 10.1021/acs.jmedchem.8b00292 | No relevant target | 4 |
| 29879354 | 10.1021/acs.jmedchem.8b00292 | Cynomolgus monkey | 4 |
| 29879354 | 10.1021/acs.jmedchem.8b00292 | Glucagon-like peptide 1 receptor | 2 |
| 29879354 | 10.1021/acs.jmedchem.8b00292 | Gastric inhibitory polypeptide receptor | 1 |
| 29879354 | 10.1021/acs.jmedchem.8b00292 | Glucagon receptor | 1 |
Data from ChEMBL 36 via Core Engine