Compound Detail
CHEMBL5208289
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Cn1c(CN2CCC(c3cccc(OCc4ccc(Cl)cc4F)n3)CC2)nc2nccc(NCC(=O)O)c21
Basic Information
| ChEMBL ID | CHEMBL5208289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUBNQVJGRZIRPQ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
539.0
MW (Da)
4.61
ALogP
8
HBA
2
HBD
105.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 7.36 | 6.1733 | 44.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.0 | 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 | = | 44.0 | nM | 7.36 | Agonist activity at human GLP-1R expressed in CHO-K1 cells assessed as cAMP accu... | 35647711 |
| Glucagon-like peptide 1 receptor | EC50 | = | 1500.0 | nM | 5.82 | Agonist activity at human GLP-1R expressed in PathHunter CHO-K1 GLP1R beta-arres... | 35647711 |
| Glucagon-like peptide 1 receptor | EC50 | = | 4600.0 | nM | 5.34 | Agonist activity at human GLP-1R expressed in CHO-K1 cells assessed as cAMP accu... | 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 |
Data from ChEMBL 36 via Core Engine