Detailed information for compound 64225
Basic information
Technical information
- TDR Targets ID: 64225
- Name: 6-amino-1-tert-butyl-7-(tert-butylamino)-4-ox oquinoline-3-carboxylic acid
- MW: 331.409 | Formula: C18H25N3O3
-
H donors: 3
H acceptors: 3
LogP: 3.26
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: OC(=O)c1cn(c2c(c1=O)cc(c(c2)NC(C)(C)C)N)C(C)(C)C
- InChi: 1S/C18H25N3O3/c1-17(2,3)20-13-8-14-10(7-12(13)19)15(22)11(16(23)24)9-21(14)18(4,5)6/h7-9,20H,19H2,1-6H3,(H,23,24)
- InChiKey: ZUNLCDXAMOZUQF-UHFFFAOYSA-N
Network
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Synonyms
- 6-amino-1-tert-butyl-7-(tert-butylamino)-4-oxo-quinoline-3-carboxylic acid
- 6-amino-1-tert-butyl-7-(tert-butylamino)-4-oxo-3-quinolinecarboxylic acid
- 6-azanyl-1-tert-butyl-7-(tert-butylamino)-4-oxo-quinoline-3-carboxylic acid
- 6-amino-1-tert-butyl-7-(tert-butylamino)-4-keto-quinoline-3-carboxylic acid
- 6-Amino-1-(tert-butyl)-7-[(tert-butyl)amino]-4-oxohydroquinoline-3-carboxylic acid
- AIDS-081035
- AIDS081035
Targets
Known targets for this compound
No curated genes were found associated with this compound
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Brugia malayi | Galactoside-binding lectin family protein | 0.0116 | 1 | 1 |
| Brugia malayi | Galactoside-binding lectin family protein | 0.0116 | 1 | 1 |
| Brugia malayi | galectin | 0.0116 | 1 | 1 |
| Echinococcus multilocularis | Galectin, carbohydrate recognition domain | 0.0116 | 1 | 0.5 |
| Onchocerca volvulus | Galectin homolog | 0.0116 | 1 | 0.5 |
| Brugia malayi | Galactoside-binding lectin family protein | 0.0116 | 1 | 1 |
| Loa Loa (eye worm) | galectin | 0.0116 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0116 | 1 | 1 |
| Onchocerca volvulus | Galectin homolog | 0.0116 | 1 | 0.5 |
| Brugia malayi | galectin | 0.0116 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0116 | 1 | 1 |
| Loa Loa (eye worm) | galactoside-binding lectin family protein | 0.0116 | 1 | 1 |
| Schistosoma mansoni | galectin | 0.0116 | 1 | 0.5 |
| Loa Loa (eye worm) | galactoside-binding lectin family protein | 0.0116 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0116 | 1 | 1 |
| Loa Loa (eye worm) | galectin | 0.0116 | 1 | 1 |
| Echinococcus granulosus | Galectin carbohydrate recognition domain | 0.0116 | 1 | 0.5 |
| Loa Loa (eye worm) | galactoside-binding lectin family protein | 0.0116 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| CC50 (functional) | > 200 uM | Concentration required to reduce the viability of mock-infected MT-4 cells by 50% | ChEMBL. | 10397494 |
| CC50 (functional) | > 200 uM | Concentration required to reduce the viability of mock-infected MT-4 cells by 50% | ChEMBL. | 10397494 |
| MIC (functional) | > 125 uM | Minimum inhibitory concentration required in vitro against Streptococcus D | ChEMBL. | 10397494 |
| MIC (functional) | > 125 uM | Minimum inhibitory concentration required in vitro against Staphylococcus aureus | ChEMBL. | 10397494 |
| MIC (functional) | > 125 uM | Minimum inhibitory concentration required in vitro against Salmonella | ChEMBL. | 10397494 |
| MIC (functional) | > 125 uM | Minimum inhibitory concentration required in vitro against Shigella | ChEMBL. | 10397494 |
| MIC50 (functional) | > 125 uM | Minimum inhibitory concentration required in vitro to reduce the number of viable of Mycobacterium fortuitum(clinical isolate) by 50% | ChEMBL. | 10397494 |
| MIC50 (functional) | > 125 uM | Minimum inhibitory concentration required in vitro to reduce the number of viable of Mycobacterium smegmatis ATCC 19420 by 50% | ChEMBL. | 10397494 |
| MIC50 (functional) | = 140 uM | Minimum inhibitory concentration required in vitro to reduce the number of viable of Mycobacterium avium complex (MAC) ATCC 49601 by 50% | ChEMBL. | 10397494 |
| MIC50 (functional) | = 168 uM | Minimum inhibitory concentration required in vitro to reduce the number of viable of Mycobacterium tuberculosis ATCC 27294 by 50% | ChEMBL. | 10397494 |
| MIC50 (functional) | = 168 uM | Minimum inhibitory concentration required in vitro to reduce the number of viable of Mycobacterium tuberculosis ATCC 27294 by 50% | ChEMBL. | 10397494 |
| MIC50 (functional) | > 200 uM | Minimum inhibitory concentration required in vitro to reduce the number of viable of Mycobacterium tuberculosis clinical isolate 1104 by 50% | ChEMBL. | 10397494 |
| MIC50 (functional) | > 200 uM | Minimum inhibitory concentration required in vitro to reduce the number of viable of Mycobacterium tuberculosis clinical isolate 1104 by 50% | ChEMBL. | 10397494 |
| MIC90 (functional) | > 200 uM | Minimum inhibitory concentration required in vitro to reduce the number of viable of Mycobacterium avium complex (MAC) ATCC 49601 by 90% | ChEMBL. | 10397494 |
| MIC90 (functional) | > 200 uM | Minimum inhibitory concentration required in vitro to reduce the number of viable of Mycobacterium tuberculosis ATCC 27294 by 90% | ChEMBL. | 10397494 |
| MIC90 (functional) | > 200 uM | Minimum inhibitory concentration required in vitro to reduce the number of viable of Mycobacterium tuberculosis clinical isolate 1104 by 90% | ChEMBL. | 10397494 |
| MIC90 (functional) | > 200 uM | Minimum inhibitory concentration required in vitro to reduce the number of viable of Mycobacterium tuberculosis ATCC 27294 by 90% | ChEMBL. | 10397494 |
| MIC90 (functional) | > 200 uM | Minimum inhibitory concentration required in vitro to reduce the number of viable of Mycobacterium tuberculosis clinical isolate 1104 by 90% | ChEMBL. | 10397494 |
Phenotypes
Whole-cell/tissue/organism interactions
We have no records of whole-cell/tissue assays done with this compound
What does this mean?
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
- ChEMBL: CHEMBL44708
- PubChem: 473534
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.