Compound Detail
CHEMBL2158423
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CCC(=O)Nc1ccc(C(=O)N[C@]2(C(=O)O)[C@H](c3ccc(OC(=O)c4cccs4)c(OC)c3)[C@@](NC(=O)c3ccc(NC(=O)CC)cc3)(C(=O)O)[C@@H]2c2ccc(OC(=O)c3cccs3)c(OC)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL2158423 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPBGJWSJVWQQKE-ZCYAONDWSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
989.0
MW (Da)
7.35
ALogP
14
HBA
6
HBD
262.1
PSA (Ų)
0.04
QED
4
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.16
IC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor CHEMBL5862 | EC50 | 6.16 | 6.16 | 695.8 | 1 |
| Glucagon-like peptide 1 receptor CHEMBL5862 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor | EC50 | = | 695.8 | nM | 6.16 | Agonist activity at rat GLP1R expressed in HEK293 cells assessed as stimulation ... | 22103243 |
| Glucagon-like peptide 1 receptor | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of [125I]GLP1 (7-36) amide binding to rat GLP1R expressed in HEK293 c... | 22103243 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22103243 | 10.1021/jm201150j | Glucagon-like peptide 1 receptor | 5 |
Data from ChEMBL 36 via Core Engine