Compound Detail
CHEMBL5435749
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Cn1cnnc1Cn1c([C@H]2CC23CCN(c2nc(OCc4ccc(Cl)cc4F)ncc2F)CC3)nc2ccc(C(=O)O)cc21
Basic Information
| ChEMBL ID | CHEMBL5435749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBBIXOMTECGKFY-HXUWFJFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
621.0
MW (Da)
4.99
ALogP
10
HBA
1
HBD
124.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 6.93 | 6.93 | 117.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor | EC50 | = | 117.7 | nM | 6.93 | Agonist activity at GLP-1 receptor (unknown origin) expressed in CHO cells by cA... | 37591316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37591316 | 10.1016/j.bmcl.2023.129454 | Glucagon-like peptide 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine