Compound Detail
CHEMBL5209130
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Basic Information
| ChEMBL ID | CHEMBL5209130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBEHMHLXXRGWSZ-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
466.0
MW (Da)
5.11
ALogP
6
HBA
0
HBD
56.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.11
IC50 1 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 7.11 | 5.9033 | 77.0 | 3 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | EC50 | 7.11 | 7.11 | 77.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 140.0 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor | EC50 | = | 77.0 | nM | 7.11 | Agonist activity at human GLP-1R expressed in CHO-K1 cells assessed as cAMP accu... | 35647711 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | EC50 | = | 77.0 | nM | 7.11 | Inhibition of hERG potassium channel by patch clamp assay | 38959726 |
| Glucagon-like peptide 1 receptor | EC50 | = | 2600.0 | nM | 5.58 | Agonist activity at human GLP-1R expressed in CHO-K1 cells assessed as cAMP accu... | 35647711 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of hERG ion channel by patch-clamp method | 35647711 |
| Glucagon-like peptide 1 receptor | EC50 | = | 9600.0 | nM | 5.02 | Agonist activity at human GLP-1R expressed in PathHunter CHO-K1 GLP1R beta-arres... | 35647711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35647711 | 10.1021/acs.jmedchem.1c01856 | Glucagon-like peptide 1 receptor | 8 |
| 35647711 | 10.1021/acs.jmedchem.1c01856 | ADMET | 2 |
| 35647711 | 10.1021/acs.jmedchem.1c01856 | No relevant target | 1 |
| 35647711 | 10.1021/acs.jmedchem.1c01856 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 38959726 | 10.1016/j.ejmech.2024.116632 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine