Detailed information for compound 630698
Basic information
Technical information
- TDR Targets ID: 630698
- Name: 2-(3-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl )methyl]ethanamine
- MW: 335.825 | Formula: C18H22ClNO3
-
H donors: 1
H acceptors: 0
LogP: 3.79
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: COc1cc(OC)c(cc1CNCCc1cccc(c1)Cl)OC
- InChi: 1S/C18H22ClNO3/c1-21-16-11-18(23-3)17(22-2)10-14(16)12-20-8-7-13-5-4-6-15(19)9-13/h4-6,9-11,20H,7-8,12H2,1-3H3
- InChiKey: MXNJWTCXQLVRJV-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 2-(3-chlorophenyl)ethyl-(2,4,5-trimethoxybenzyl)amine
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 |
|---|---|---|---|---|
| Onchocerca volvulus | Chorion peroxidase homolog | 0.0329 | 1 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.0038 | 0.0435 | 0.5 |
| Mycobacterium ulcerans | beta-lactamase | 0.0038 | 0.0435 | 0.5 |
| Mycobacterium leprae | conserved hypothetical protein | 0.0038 | 0.0435 | 0.5 |
| Plasmodium falciparum | importin beta, putative | 0.003 | 0.0188 | 0.5 |
| Trichomonas vaginalis | D-aminoacylase, putative | 0.0038 | 0.0435 | 1 |
| Echinococcus granulosus | beta LACTamase domain containing family member | 0.0038 | 0.0435 | 0.0252 |
| Loa Loa (eye worm) | beta-LACTamase domain containing family member | 0.0038 | 0.0435 | 0.0252 |
| Entamoeba histolytica | hypothetical protein | 0.0035 | 0.0349 | 1 |
| Trypanosoma brucei | hypothetical protein, conserved | 0.0038 | 0.0435 | 1 |
| Brugia malayi | beta-lactamase family protein | 0.0038 | 0.0435 | 0.0252 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.0435 | 0.0252 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.0435 | 0.0252 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.0435 | 0.0252 |
| Onchocerca volvulus | Peroxidasin homolog | 0.0329 | 1 | 1 |
| Loa Loa (eye worm) | beta-lactamase | 0.0038 | 0.0435 | 0.0252 |
| Loa Loa (eye worm) | animal heme peroxidase | 0.0329 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0329 | 1 | 1 |
| Loa Loa (eye worm) | animal heme peroxidase | 0.0329 | 1 | 1 |
| Onchocerca volvulus | Peroxidase homolog | 0.0329 | 1 | 1 |
| Mycobacterium ulcerans | lipase LipD | 0.0038 | 0.0435 | 0.5 |
| Echinococcus multilocularis | peroxidasin | 0.0329 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0323 | 0.9795 | 0.9791 |
| Loa Loa (eye worm) | animal heme peroxidase | 0.0329 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0329 | 1 | 1 |
| Onchocerca volvulus | Peroxidase homolog | 0.0329 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0038 | 0.0435 | 1 |
| Mycobacterium leprae | Probable lipase LipE | 0.0038 | 0.0435 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0329 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0329 | 1 | 1 |
| Onchocerca volvulus | 0.0329 | 1 | 1 | |
| Mycobacterium ulcerans | esterase/lipase LipP | 0.0038 | 0.0435 | 0.5 |
| Echinococcus multilocularis | snurportin 1 | 0.0323 | 0.9795 | 0.9791 |
| Mycobacterium tuberculosis | Possible penicillin-binding protein | 0.0241 | 0.7116 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0329 | 1 | 1 |
| Loa Loa (eye worm) | blistered cuticle protein 3 | 0.0329 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.0435 | 0.0252 |
| Trichomonas vaginalis | penicillin-binding protein, putative | 0.0038 | 0.0435 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0329 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0035 | 0.0349 | 0.0164 |
| Brugia malayi | Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative | 0.0038 | 0.0435 | 0.0252 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.0435 | 0.0252 |
| Leishmania major | hypothetical protein, conserved | 0.0038 | 0.0435 | 1 |
| Onchocerca volvulus | Dual oxidase homolog | 0.0329 | 1 | 1 |
| Schistosoma mansoni | family S12 unassigned peptidase (S12 family) | 0.0038 | 0.0435 | 0.0252 |
| Echinococcus granulosus | snurportin 1 | 0.0323 | 0.9795 | 0.9791 |
| Schistosoma mansoni | peroxidasin | 0.0329 | 1 | 1 |
| Trichomonas vaginalis | D-aminoacylase, putative | 0.0038 | 0.0435 | 1 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0035 | 0.0349 | 0.0164 |
| Entamoeba histolytica | hypothetical protein | 0.0035 | 0.0349 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0329 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.0435 | 0.0252 |
| Loa Loa (eye worm) | hypothetical protein | 0.0329 | 1 | 1 |
| Schistosoma mansoni | family S12 unassigned peptidase (S12 family) | 0.0038 | 0.0435 | 0.0252 |
| Trichomonas vaginalis | esterase, putative | 0.0038 | 0.0435 | 1 |
| Schistosoma mansoni | peroxidasin | 0.0329 | 1 | 1 |
| Echinococcus multilocularis | beta LACTamase domain containing family member | 0.0038 | 0.0435 | 0.0252 |
| Schistosoma mansoni | hypothetical protein | 0.0035 | 0.0349 | 0.0164 |
| Brugia malayi | Blistered cuticle protein 3 | 0.0329 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0035 | 0.0349 | 1 |
| Brugia malayi | beta-lactamase family protein | 0.0038 | 0.0435 | 0.0252 |
| Brugia malayi | Animal haem peroxidase family protein | 0.0329 | 1 | 1 |
| Mycobacterium ulcerans | fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE | 0.0038 | 0.0435 | 0.5 |
| Trichomonas vaginalis | D-aminoacylase, putative | 0.0038 | 0.0435 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0035 | 0.0349 | 1 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0035 | 0.0349 | 0.0164 |
| Loa Loa (eye worm) | nucleolar RNA-associated protein alpha | 0.0323 | 0.9795 | 0.9791 |
| Loa Loa (eye worm) | animal heme peroxidase | 0.0329 | 1 | 1 |
| Brugia malayi | beta-lactamase | 0.0038 | 0.0435 | 0.0252 |
| Brugia malayi | Animal haem peroxidase family protein | 0.0329 | 1 | 1 |
| Brugia malayi | Animal haem peroxidase family protein | 0.0329 | 1 | 1 |
| Onchocerca volvulus | Peroxidasin homolog | 0.0329 | 1 | 1 |
| Trichomonas vaginalis | penicillin-binding protein, putative | 0.0038 | 0.0435 | 1 |
| Brugia malayi | Animal haem peroxidase family protein | 0.0329 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0329 | 1 | 1 |
| Onchocerca volvulus | 0.0329 | 1 | 1 | |
| Brugia malayi | Animal haem peroxidase family protein | 0.0329 | 1 | 1 |
| Echinococcus granulosus | peroxidasin | 0.0329 | 1 | 1 |
| Onchocerca volvulus | 0.0329 | 1 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0329 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0329 | 1 | 1 |
| Brugia malayi | Peroxidasin | 0.0329 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0329 | 1 | 1 |
| Toxoplasma gondii | ABC1 family protein | 0.0038 | 0.0435 | 1 |
| Plasmodium vivax | hypothetical protein, conserved | 0.0038 | 0.0435 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0329 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0038 | 0.0435 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0329 | 1 | 1 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0035 | 0.0349 | 0.0164 |
| Brugia malayi | RNA, U transporter 1 | 0.0086 | 0.2019 | 0.1866 |
Activities
No activities found for this compound.
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
- Search by Saint Jude
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.