Detailed information for compound 1263974
Basic information
Technical information
- TDR Targets ID: 1263974
- Name: 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl -3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[3, 2-d]pyridine-5-carboxamide
- MW: 411.473 | Formula: C22H26FN5O2
-
H donors: 1
H acceptors: 3
LogP: 1.58
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: CN1CCN(CC1)Cc1cn(c2c1cc(nc2)C(=O)N(O)C)Cc1ccc(cc1)F
- InChi: 1S/C22H26FN5O2/c1-25-7-9-27(10-8-25)14-17-15-28(13-16-3-5-18(23)6-4-16)21-12-24-20(11-19(17)21)22(29)26(2)30/h3-6,11-12,15,30H,7-10,13-14H2,1-2H3
- InChiKey: YUPZNRBJZQXNNA-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methyl-1-piperazinyl)methyl]-5-pyrrolo[3,2-d]pyridinecarboxamide
- 1-(4-fluorobenzyl)-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[3,2-d]pyridine-5-carboxamide
- 1H-Pyrrolo[2,3-c]pyridine-5-carboxamide, 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-
- AIDS-350859
- AIDS350859
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Human immunodeficiency virus 1 | Integrase | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
| Species | Potential target | Known druggable target/s | Ortholog Group |
|---|---|---|---|
| Trypanosoma congolense | RNA helicase, putative | Get druggable targets OG5_139608 | All targets in OG5_139608 |
| Trypanosoma brucei | RNA helicase, putative | Get druggable targets OG5_139608 | All targets in OG5_139608 |
| Schistosoma mansoni | hypothetical protein | Get druggable targets OG5_139608 | All targets in OG5_139608 |
| Plasmodium yoelii | integrase-related | Get druggable targets OG5_139608 | All targets in OG5_139608 |
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 |
|---|---|---|---|---|
| Onchocerca volvulus | Peroxidasin homolog | 0.0703 | 1 | 1 |
| Loa Loa (eye worm) | animal heme peroxidase | 0.0703 | 1 | 1 |
| Onchocerca volvulus | Dual oxidase homolog | 0.0703 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0703 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0703 | 1 | 1 |
| Loa Loa (eye worm) | animal heme peroxidase | 0.0703 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0703 | 1 | 1 |
| Toxoplasma gondii | EGF family domain-containing protein | 0.0227 | 0 | 0.5 |
| Giardia lamblia | High cysteine protein | 0.0227 | 0 | 0.5 |
| Onchocerca volvulus | 0.0703 | 1 | 1 | |
| Onchocerca volvulus | Peroxidase homolog | 0.0703 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0703 | 1 | 1 |
| Schistosoma mansoni | peroxidasin | 0.0703 | 1 | 1 |
| Onchocerca volvulus | Peroxidase homolog | 0.0703 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0703 | 1 | 1 |
| Onchocerca volvulus | 0.0703 | 1 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0703 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0703 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0703 | 1 | 1 |
| Echinococcus granulosus | peroxidasin | 0.0703 | 1 | 1 |
| Brugia malayi | Animal haem peroxidase family protein | 0.0703 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0703 | 1 | 1 |
| Brugia malayi | Animal haem peroxidase family protein | 0.0703 | 1 | 1 |
| Onchocerca volvulus | Chorion peroxidase homolog | 0.0703 | 1 | 1 |
| Brugia malayi | Animal haem peroxidase family protein | 0.0703 | 1 | 1 |
| Loa Loa (eye worm) | animal heme peroxidase | 0.0703 | 1 | 1 |
| Schistosoma mansoni | peroxidasin | 0.0703 | 1 | 1 |
| Onchocerca volvulus | Peroxidasin homolog | 0.0703 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0703 | 1 | 1 |
| Onchocerca volvulus | 0.0703 | 1 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0703 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0703 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0703 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0703 | 1 | 1 |
| Brugia malayi | Blistered cuticle protein 3 | 0.0703 | 1 | 1 |
| Brugia malayi | Animal haem peroxidase family protein | 0.0703 | 1 | 1 |
| Loa Loa (eye worm) | animal heme peroxidase | 0.0703 | 1 | 1 |
| Loa Loa (eye worm) | blistered cuticle protein 3 | 0.0703 | 1 | 1 |
| Echinococcus multilocularis | peroxidasin | 0.0703 | 1 | 1 |
| Brugia malayi | Animal haem peroxidase family protein | 0.0703 | 1 | 1 |
| Brugia malayi | Peroxidasin | 0.0703 | 1 | 1 |
Activities
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: CHEMBL1289199
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.