Detailed information for compound 1147781

Basic information

Technical information
  • TDR Targets ID: 1147781
  • Name: N-[(3-chlorophenyl)methyl]ethanamine
  • MW: 169.651 | Formula: C9H12ClN
  • H donors: 1 H acceptors: 0 LogP: 2.29 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNCc1cccc(c1)Cl
  • InChi: 1S/C9H12ClN/c1-2-11-7-8-4-3-5-9(10)6-8/h3-6,11H,2,7H2,1H3
  • InChiKey: KHDVRWXQCOMYKQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3-chlorobenzyl)-ethyl-amine
  • 39180-82-0
  • 90389-47-2 (HYDROCHLORIDE)
  • AIDS-011084
  • AIDS011084
  • Benzenemethanamine, 3-chloro-N-ethyl-

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
Trypanosoma brucei DNA polymerase IV, putative 0.0035 0.0262 0.3603
Onchocerca volvulus 0.0078 0.0727 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0333 0.419
Mycobacterium ulcerans lipase LipD 0.0078 0.0727 0.0683
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0333 0.4574
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0333 0.4574
Loa Loa (eye worm) hypothetical protein 0.0078 0.0727 0.2486
Loa Loa (eye worm) beta-lactamase 0.0078 0.0727 0.2486
Echinococcus multilocularis dna polymerase kappa 0.0041 0.0333 0.0286
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0333 0.419
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0383 0.1225
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0333 0.419
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0078 0.0727 1
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0583 0.611 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0078 0.0727 0.112
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0078 0.0727 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0333 0.4574
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0333 0.4574
Mycobacterium tuberculosis Probable lipase LipE 0.0078 0.0727 0.112
Loa Loa (eye worm) hypothetical protein 0.0078 0.0727 0.2486
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0333 0.4574
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0383 0.4927
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0333 0.4574
Mycobacterium tuberculosis Conserved protein 0.0078 0.0727 0.112
Loa Loa (eye worm) hypothetical protein 0.0078 0.0727 0.2486
Entamoeba histolytica deoxycytidyl transferase, putative 0.0015 0.0048 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.0727 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0333 0.419
Mycobacterium ulcerans esterase/lipase LipP 0.0078 0.0727 0.0683
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0333 0.4574
Brugia malayi beta-lactamase 0.0078 0.0727 0.2486
Mycobacterium tuberculosis Conserved protein 0.0078 0.0727 0.112
Mycobacterium tuberculosis Probable esterase LipL 0.0078 0.0727 0.112
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.0727 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0226 0.3105
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0078 0.0727 0.112
Echinococcus multilocularis beta LACTamase domain containing family member 0.0078 0.0727 0.0682
Trypanosoma brucei unspecified product 0.0035 0.0262 0.3603
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0333 0.4574
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0119 0.0116
Mycobacterium tuberculosis Possible penicillin-binding protein 0.05 0.5222 0.8534
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0078 0.0727 0.2486
Leishmania major hypothetical protein, conserved 0.0078 0.0727 1
Brugia malayi polk-prov protein 0.0031 0.0226 0.0651
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0078 0.0727 0.0683
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.0727 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0333 0.4574
Loa Loa (eye worm) hypothetical protein 0.0078 0.0727 0.2486
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0383 0.4927
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0078 0.0727 0.112
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0119 0.1632
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.0583 0.611 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0383 0.1225
Trypanosoma brucei DNA polymerase eta, putative 0.0015 0.0048 0.0661
Mycobacterium leprae Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0583 0.611 1
Brugia malayi follicle stimulating hormone receptor 0.0271 0.278 1
Toxoplasma gondii ABC1 family protein 0.0078 0.0727 0.1173
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0071 0.0971
Brugia malayi beta-lactamase family protein 0.0078 0.0727 0.2486
Trypanosoma brucei hypothetical protein, conserved 0.0078 0.0727 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0383 0.4927
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0383 0.4927
Leishmania major DNA polymerase kappa, putative 0.0021 0.0119 0.104
Giardia lamblia DINP protein human, muc B family 0.0021 0.0119 0.5
Onchocerca volvulus 0.0078 0.0727 0.5
Onchocerca volvulus 0.0078 0.0727 0.5
Trichomonas vaginalis esterase, putative 0.0078 0.0727 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0078 0.0727 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0071 0.0971
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0078 0.0727 0.2486
Mycobacterium tuberculosis Conserved protein 0.0078 0.0727 0.112
Mycobacterium ulcerans hypothetical protein 0.0078 0.0727 0.0683
Echinococcus granulosus beta LACTamase domain containing family member 0.0078 0.0727 1
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.0727 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0078 0.0727 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0383 0.0336
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0333 0.4574
Loa Loa (eye worm) hypothetical protein 0.0031 0.0226 0.0651
Plasmodium vivax hypothetical protein, conserved 0.0078 0.0727 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0383 0.0336
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0333 0.4574
Loa Loa (eye worm) hypothetical protein 0.0078 0.0727 0.2486
Mycobacterium tuberculosis Probable hydrolase 0.0078 0.0727 0.112
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0226 0.3105
Brugia malayi beta-lactamase family protein 0.0078 0.0727 0.2486
Loa Loa (eye worm) hypothetical protein 0.0078 0.0727 0.2486
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0119 0.104
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0271 0.278 1
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.0727 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0383 0.4927
Toxoplasma gondii pantoate-beta-alanine ligase 0.0583 0.611 1
Echinococcus granulosus dna polymerase kappa 0.0041 0.0333 0.419
Mycobacterium tuberculosis Probable lipase LipD 0.0078 0.0727 0.112
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0071 0.0971
Mycobacterium ulcerans beta-lactamase 0.0078 0.0727 0.0683

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.

External resources for this compound

Bibliographic References

No literature references available for this target.

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