Compound Detail
CHEMBL5208485
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Basic Information
| ChEMBL ID | CHEMBL5208485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFQGZIAZHIRPPQ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
14
PK Parameters
10
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
3.30
ALogP
6
HBA
0
HBD
54.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 10.0
IC50 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 10.0 | 10.0 | 0.1 | 1 |
| Glucagon-like peptide 1 receptor CHEMBL5862 | EC50 | 9.6 | 9.6 | 0.2 | 1 |
| Glucagon-like peptide 1 receptor CHEMBL5862 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 277.61 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 540.25 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 310.92 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 644.45 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 107.34 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 450.49 | nM | Rattus norvegicus |
| F | 38.92 | % | Rattus norvegicus |
| T1/2 | 3.25 | hr | Rattus norvegicus |
| T1/2 | 2.86 | hr | Rattus norvegicus |
| T1/2 | 0.5 | hr | Homo sapiens |
| T1/2 | 0.5 | hr | Rattus norvegicus |
| T1/2 | 0.5 | hr | Canis lupus familiaris |
| Tmax | 0.83 | hr | Rattus norvegicus |
| Vd | 18.05 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor | EC50 | = | 0.1 | nM | 10.0 | Positive allosteric modulator activity at human GLP-1R expressed in HEK293 cells... | 35349261 |
| Glucagon-like peptide 1 receptor | EC50 | = | 0.25 | nM | 9.6 | Positive allosteric modulator activity at GLP-1R in rat INS1 beta-cells assessed... | 35349261 |
| Glucagon-like peptide 1 receptor | IC50 | = | 6.3 | nM | 8.2 | Positive allosteric modulator activity at GLP-1R in rat INS1 beta-cells assessed... | 35349261 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35349261 | 10.1021/acs.jmedchem.1c01842 | ADMET | 18 |
| 35349261 | 10.1021/acs.jmedchem.1c01842 | Glucagon-like peptide 1 receptor | 10 |
| 35349261 | 10.1021/acs.jmedchem.1c01842 | Rattus norvegicus | 5 |
| 35349261 | 10.1021/acs.jmedchem.1c01842 | Mus musculus | 3 |
| 35349261 | 10.1021/acs.jmedchem.1c01842 | Cytochrome P450 1A2 | 1 |
| 35349261 | 10.1021/acs.jmedchem.1c01842 | Cytochrome P450 2C9 | 1 |
| 35349261 | 10.1021/acs.jmedchem.1c01842 | Cytochrome P450 2C19 | 1 |
| 35349261 | 10.1021/acs.jmedchem.1c01842 | Cytochrome P450 2D6 | 1 |
| 35349261 | 10.1021/acs.jmedchem.1c01842 | Unchecked | 1 |
| 35349261 | 10.1021/acs.jmedchem.1c01842 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine