Compound Detail
CHEMBL4741693
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CC(=O)Nc1nc(-c2cccc(NC(=O)CCC(=O)N[C@@H](Cc3cn(C[C@H]4O[C@@H](O[C@@H]5[C@@H](O)[C@H](N)C[C@H](N)[C@H]5O[C@H]5O[C@H](CN)[C@@H](O)[C@H](O)[C@H]5N)[C@H](O)[C@@H]4O[C@H]4O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]4N)nn3)C(=O)N[C@@H](Cc3c[nH]cn3)C(N)=O)c2)cs1
Basic Information
| ChEMBL ID | CHEMBL4741693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARJRIECHBFDMHR-KJBBSRQNSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1204.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| microRNA 21 CHEMBL1615322 | Kd | 7.3 | 7.23 | 50.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| microRNA 21 | Kd | = | 50.3 | nM | 7.3 | Binding affinity to 5'-FAM/3'-DAB-labeled UGUCGGGUAGCUUAUCAGACUGAUGUUGACUGUUGAAU... | 34141067 |
| microRNA 21 | Kd | = | 50.4 | nM | 7.3 | Binding affinity to 5'-FAM/3'-DAB-labeled UGUCGGGUAGCUUAUCAGACUGAUGUUGACUGUUGAAU... | 34141067 |
| microRNA 21 | Kd | = | 80.9 | nM | 7.09 | Binding affinity to 5'-FAM/3'-DAB-labeled UGUCGGGUAGCUUAUCAGACUGAUGUUGACUGUUGAAU... | 34141067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34141067 | 10.1021/acsmedchemlett.0c00682 | microRNA 21 | 7 |
Data from ChEMBL 36 via Core Engine