Compound Detail
CHEMBL458302
NINGNANMYCIN Enter ChEMBL ID:
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CNCC(=O)N[C@@H](CO)C(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](n2ccc(N)nc2=O)O[C@@H]1C(N)=O
Basic Information
| ChEMBL ID | CHEMBL458302 |
| Name | NINGNANMYCIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMNAZJFEONUVTD-KEWDHRJRSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
443.4
MW (Da)
-5.89
ALogP
12
HBA
8
HBD
244.2
PSA (Ų)
0.19
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.38
EC50 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tobacco mosaic virus CHEMBL613818 | IC50 | 4.38 | 4.34 | 42200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tobacco mosaic virus | IC50 | = | 42200.0 | nM | 4.38 | Antiviral activity against TMV strain U1 infected in Nicotiana glutinosa leaves ... | 23368966 |
| Tobacco mosaic virus | IC50 | = | 49900.0 | nM | 4.3 | Antiviral activity against Tobacco mosaic virus infected in right side leaf of N... | 23078294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25798528 | 10.1021/np501057f | Tobacco mosaic virus | 10 |
| 18183949 | 10.1021/jf072394k | Tobacco mosaic virus | 10 |
| 23320928 | 10.1021/jf304905k | Tobacco mosaic virus | 8 |
| 23078294 | 10.1021/np300395m | Tobacco mosaic virus | 8 |
| 22500574 | 10.1021/jf205362d | Tobacco mosaic virus | 8 |
| 22662864 | 10.1021/jf3013376 | Tobacco mosaic virus | 8 |
| 19586051 | 10.1021/jf901632j | Tobacco mosaic virus | 8 |
| 23035814 | 10.1021/jf303550a | Tobacco mosaic virus | 8 |
| 18547045 | 10.1021/jf800405m | Tobacco mosaic virus | 8 |
| 18939848 | 10.1021/jf802489e | Tobacco mosaic virus | 8 |
| 20000413 | 10.1021/jf902543r | Tobacco mosaic virus | 8 |
| 21058739 | 10.1021/jf103440s | Tobacco mosaic virus | 6 |
| 19199594 | 10.1021/jf803215t | Tobacco mosaic virus | 6 |
| 20050684 | 10.1021/jf903434h | Tobacco mosaic virus | 6 |
| 23368966 | 10.1021/np300727f | Tobacco mosaic virus | 3 |
| 33421712 | 10.1016/j.ejmech.2020.113102 | Tobacco mosaic virus | 3 |
| 18178446 | 10.1016/j.bmc.2007.12.035 | Tobacco mosaic virus | 3 |
| 34479038 | 10.1016/j.ejmech.2021.113815 | Tobacco mosaic virus | 3 |
| 20000408 | 10.1021/jf902861m | Tobacco mosaic virus | 3 |
| 18945621 | 10.1016/j.bmc.2008.09.070 | Tobacco mosaic virus | 3 |
Data from ChEMBL 36 via Core Engine