Compound Detail
CHEMBL4518483
DANUGLIPRON 🧪 Phase II
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🧪 Phase II
N#Cc1ccc(COc2cccc(C3CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL4518483 |
| Name | DANUGLIPRON |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | HYBAKUMPISVZQP-DEOSSOPVSA-N |
5
Targets
30
Activities
3
Assay Types
30
PK Parameters
20
Publications
2
Known Names
4
Indications
1
Mechanisms
Molecular Properties
555.6
MW (Da)
4.89
ALogP
8
HBA
1
HBD
113.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Glucagon-like peptide 1 receptor agonist | AGONIST | Glucagon-like peptide 1 receptor | ✓ | ✓ |
Indications
Diabetes Mellitus, Type 2 Obesity Liver Diseases Non-alcoholic Fatty Liver Disease
Activity Summary
EC50 23 meas. best 10.4
IC50 5 meas. best 5.9
Ki 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 10.4 | 7.9114 | 0.0 | 22 |
| Unchecked CHEMBL612545 | EC50 | 8.36 | 8.36 | 4.4 | 1 |
| Glucagon-like peptide 1 receptor CHEMBL1784 | Ki | 7.1 | 6.77 | 80.0 | 2 |
| Cytochrome P450 2C8 CHEMBL3721 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 5.62 | 5.62 | 2424.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.58 | 5.3967 | 2600.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1240.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 303.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 11000.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 296.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 168.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 11900.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3383.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 1100.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 1670.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 2280.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 520.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 170.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 57.3 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 13.8 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 5.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 13.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 13.0 | mL.min-1.g-1 | Mus musculus |
| Cmax | 5075.5 | nM | Rattus norvegicus |
| Cmax | 253.78 | nM | Rattus norvegicus |
| Cmax | 123.65 | nM | Macaca fascicularis |
| Cmax | 2069.8 | nM | Macaca fascicularis |
| Cmax | 670.0 | nM | Macaca fascicularis |
| Cmax | 163000.0 | nM | Macaca fascicularis |
| Cmax | 5111.5 | nM | Mus musculus |
| Cmax | 197.98 | nM | Rattus norvegicus |
| F | 5.0 | % | Macaca fascicularis |
| F | 9.0 | % | Macaca fascicularis |
| F | 11.0 | % | Rattus norvegicus |
| F | 39.0 | % | Rattus norvegicus |
| F | 3.41 | % | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine