Compound Detail
CHEMBL4744263
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1ccc(C(=O)Nc2nc(-c3cccc(NC(=O)CCC(=O)N[C@@H](Cc4cn(C[C@H]5O[C@@H](O[C@@H]6[C@@H](O)[C@H](N)C[C@H](N)[C@H]6O[C@H]6O[C@H](CN)[C@@H](O)[C@H](O)[C@H]6N)[C@H](O)[C@@H]5O[C@H]5O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]5N)nn4)C(=O)N[C@@H](C)C(N)=O)c3)cs2)cc1
Basic Information
| ChEMBL ID | CHEMBL4744263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSLBBLPPQWCAMI-NCYMYNKSSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1214.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| microRNA 21 CHEMBL1615322 | Kd | 6.89 | 6.7467 | 128.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| microRNA 21 | Kd | = | 128.0 | nM | 6.89 | Binding affinity to 5'-FAM/3'-DAB-labeled UGUCGGGUAGCUUAUCAGACUGAUGUUGACUGUUGAAU... | 34141067 |
| microRNA 21 | Kd | = | 170.0 | nM | 6.77 | Binding affinity to 5'-FAM/3'-DAB-labeled UGUCGGGUAGCUUAUCAGACUGAUGUUGACUGUUGAAU... | 34141067 |
| microRNA 21 | Kd | = | 261.0 | nM | 6.58 | Binding affinity to 5'-FAM/3'-DAB-labeled UGUCGGGUAGCUUAUCAGACUGAUGUUGACUGUUGAAU... | 34141067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34141067 | 10.1021/acsmedchemlett.0c00682 | microRNA 21 | 6 |
Data from ChEMBL 36 via Core Engine