Compound Detail
CHEMBL1909452
APRAMYCIN 🧪 Phase II
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🧪 Phase II
CN[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](N)[C@H](O)[C@H]2O)OC2C[C@@H](N)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N)C[C@@H]3N)OC2[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL1909452 |
| Name | APRAMYCIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | XZNUGFQTQHRASN-PSDDYZKFSA-N |
2
Targets
9
Activities
2
Assay Types
0
PK Parameters
20
Publications
9
Known Names
1
Indications
Molecular Properties
539.6
MW (Da)
-6.95
ALogP
16
HBA
11
HBD
283.6
PSA (Ų)
0.15
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Indications
Bacterial Infections
Activity Summary
Kd 6 meas. best 7.22
IC50 3 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | Kd | 7.22 | 7.22 | 60.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.99 | 5.422 | 1030.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | Kd | = | 60.0 | nM | 7.22 | Binding affinity to A-site RNA | 19445516 |
| Unchecked | Kd | = | 1030.0 | nM | 5.99 | Binding affinity to 5'-FAM-pre-miR-17 (unknown origin) after 4 hrs by fluorescen... | 26264847 |
| Unchecked | Kd | = | 2990.0 | nM | 5.52 | Binding affinity to 5'-FAM-pre-miR-372 (unknown origin) after 4 hrs by fluoresce... | 26264847 |
| Unchecked | Kd | = | 4200.0 | nM | 5.38 | Binding affinity to 5'-FAM-pre-miR-373 (unknown origin) after 4 hrs by fluoresce... | 26264847 |
| Unchecked | Kd | = | 6550.0 | nM | 5.18 | Binding affinity to 5'-FAM-pre-miR-372 (unknown origin) after 4 hrs by fluoresce... | 26264847 |
| Unchecked | Kd | = | 9050.0 | nM | 5.04 | Binding affinity to 5'-FAM-pre-miR-372 (unknown origin) after 4 hrs by fluoresce... | 26264847 |
Literature References
Data from ChEMBL 36 via Core Engine