Compound Detail
CHEMBL505513
TUNICAMYCIN Enter ChEMBL ID:
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CC(=O)N[C@H]1[C@@H](O[C@@H]2O[C@H](CC(O)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@H](O)[C@H](O)[C@H]2NC(=O)/C=C/CC(C)C)O[C@H](CO)[C@@H](N)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL505513 |
| Name | TUNICAMYCIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYEWZWBILJHHCU-OMQUDAQFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
717.7
MW (Da)
-5.63
ALogP
17
HBA
11
HBD
317.6
PSA (Ų)
0.09
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.32 | 6.32 | 480.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 480.0 | nM | 6.32 | Inhibitory activity against Translocase I | 11934590 |
| Unchecked | IC50 | = | 480.0 | nM | 6.32 | Inhibitory activity of compound was determined against bacterial translocase | 10969981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885861 | Rattus norvegicus | 692 |
| 19015325 | 10.1128/aac.00844-08 | Saccharomyces cerevisiae | 10 |
| 17566732 | 10.1016/j.bmcl.2007.06.006 | HEK293 | 3 |
| 2981323 | 10.1021/jm00379a010 | Human alphaherpesvirus 1 | 1 |
| 2981323 | 10.1021/jm00379a010 | HeLa | 1 |
| 11934590 | 10.1016/s0960-894x(02)00109-9 | Unchecked | 1 |
| 10969981 | 10.1016/s0960-894x(00)00349-8 | Unchecked | 1 |
| 11133098 | 10.1016/s0960-894x(00)00583-7 | Unchecked | 1 |
| 23420624 | 10.1021/ml300288d | MDA-MB-231 | 1 |
| 25127465 | 10.1016/j.bmc.2014.07.035 | Phospho-N-acetylmuramoyl-pentapeptide-transferase | 1 |
Data from ChEMBL 36 via Core Engine