Compound Detail
CHEMBL3940413
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Cc1nccc(-c2ccc(C[C@H](NC(=O)[C@@H]3Cc4cc5c(cc4CN3C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)O[C@@H](c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)CO5)C(=O)O)cc2)c1C
Basic Information
| ChEMBL ID | CHEMBL3940413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKKBEFULBDWCDE-IMLAOGSGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
949.9
MW (Da)
9.48
ALogP
9
HBA
2
HBD
156.8
PSA (Ų)
0.13
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Alpha amylase CHEMBL6066863 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor | EC50 | = | 2.0 | nM | 8.7 | cAMP Functional Assay: The efficacy of GLP-1 receptor agonists was studied in a ... | - |
| Alpha amylase | EC50 | = | 2.0 | nM | 8.7 | Inhibition of alpha-amylase (unknown origin) | 38959726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38959726 | 10.1016/j.ejmech.2024.116632 | Alpha amylase | 1 |
Data from ChEMBL 36 via Core Engine