Detailed information for compound 1146708

Basic information

Technical information
  • TDR Targets ID: 1146708
  • Name: N-[(3-chlorophenyl)methyl]propan-2-amine
  • MW: 183.678 | Formula: C10H14ClN
  • H donors: 1 H acceptors: 0 LogP: 2.72 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NCc1cccc(c1)Cl)C
  • InChi: 1S/C10H14ClN/c1-8(2)12-7-9-4-3-5-10(11)6-9/h3-6,8,12H,7H2,1-2H3
  • InChiKey: QHMAGMOPVYVISF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (3-chlorobenzyl)-isopropyl-amine
  • 90389-89-2
  • AIDS-107178
  • AIDS107178
  • Benzenemethanamine, 3-chloro-N-(1-methylethyl)-
  • 90389-49-4 (HYDROCHLORIDE)

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
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0002
Schistosoma mansoni chromobox protein 0.0069 0.011 0.011
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.5395 1 1
Trichomonas vaginalis chromobox protein, putative 0.0069 0.011 0.0226
Mycobacterium ulcerans thymidylate synthase 0.5395 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0002
Schistosoma mansoni inositol monophosphatase 0.0078 0.0127 0.0127
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.5395 1 1
Echinococcus multilocularis chromobox protein 1 0.0069 0.011 0.011
Echinococcus granulosus chromobox protein 2 0.0011 0.0002 0.0002
Onchocerca volvulus 0.0011 0.0002 0.0002
Echinococcus granulosus thymidylate synthase 0.5395 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0078 0.0127 0.0263
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0059 0.0059
Loa Loa (eye worm) CHromoDomain protein family member 0.0011 0.0002 0.0002
Brugia malayi CHD4 protein 0.0011 0.0002 0.0002
Schistosoma mansoni chromobox protein 0.0011 0.0002 0.0002
Brugia malayi Cytochrome P450 family protein 0.0017 0.0013 0.0013
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0053 0.0107
Schistosoma mansoni chromobox protein 0.0069 0.011 0.011
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0011 0.0002 0.0002
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0011 0.0002 0.0002
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0072 0.0072
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0011 0.0002 0.0002
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0072 0.0072
Echinococcus multilocularis chromobox protein 2 0.0011 0.0002 0.0002
Echinococcus granulosus inositol monophosphatase 1 0.0078 0.0127 0.0127
Echinococcus multilocularis inositol monophosphatase 1 0.0078 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.003 0.0038 0.0038
Leishmania major dihydrofolate reductase-thymidylate synthase 0.5395 1 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.5395 1 1
Echinococcus multilocularis chromobox protein 1 0.0069 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0002
Loa Loa (eye worm) inositol-1 0.0078 0.0127 0.0127
Echinococcus multilocularis thymidylate synthase 0.5395 1 1
Mycobacterium tuberculosis Hypothetical protein 0.2567 0.4748 0.4688
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0011 0.0002 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0053 0.0107
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0002
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.0002 0.0002
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0078 0.0127 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0072 0.0072
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0013 0.0013
Brugia malayi Heterochromatin protein 1 0.0069 0.011 0.011
Onchocerca volvulus 0.003 0.0038 0.0038
Brugia malayi chromobox protein homolog 3 0.0039 0.0053 0.0053
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0002
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0072 0.0072
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.5395 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0002
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0127 0.0115
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.011 0.011
Trichomonas vaginalis inositol monophosphatase, putative 0.0078 0.0127 0.0263
Brugia malayi hypothetical protein 0.0011 0.0002 0.0002
Echinococcus granulosus Chromobox protein 3 0.0011 0.0002 0.0002
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0011 0.0002 0.0002
Echinococcus granulosus Chromo domain 0.0011 0.0002 0.0002
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.2567 0.4748 0.4741
Loa Loa (eye worm) thymidylate synthase 0.5395 1 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0127 0.0115
Schistosoma mansoni chromobox protein 0.0011 0.0002 0.0002
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0078 0.0127 0.5
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0002 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.2567 0.4748 1
Brugia malayi Cytochrome P450 family protein 0.0028 0.0033 0.0033
Loa Loa (eye worm) helicase 0.0011 0.0002 0.0002
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.5395 1 1
Brugia malayi hypothetical protein 0.2567 0.4748 0.4748
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0127 0.0115
Echinococcus granulosus chromobox protein 1 0.0069 0.011 0.011
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0072 0.0072
Onchocerca volvulus 0.5395 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0032 0.0063
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.0039 0.0053 0.0053
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0053 0.0053
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.0002 0.0002
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.5395 1 1
Onchocerca volvulus 0.0011 0.0002 0.0002
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0002 0.0002
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0078 0.0127 0.0115
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0072 0.0072
Trichomonas vaginalis chromobox protein, putative 0.0069 0.011 0.0226
Echinococcus multilocularis Chromobox protein 3 0.0011 0.0002 0.0002
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0078 0.0127 0.0263
Brugia malayi SET domain containing protein 0.0011 0.0002 0.0002
Echinococcus multilocularis Chromo domain 0.0011 0.0002 0.0002
Brugia malayi Protein cec-1. 0.0011 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0011 0.0002 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0032 0.0063
Brugia malayi Valyl-tRNA synthetase 0.0011 0.0002 0.0002
Schistosoma mansoni inositol monophosphatase 0.0078 0.0127 0.0127
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0011 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0002
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0078 0.0127 0.0125
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0072 0.0072
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.5395 1 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0127 0.0115
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.5395 1 1
Echinococcus granulosus chromobox protein 1 0.0069 0.011 0.011
Loa Loa (eye worm) CYP4Cod1 0.0017 0.0013 0.0013
Brugia malayi M-phase phosphoprotein, mpp8 0.0011 0.0002 0.0002
Brugia malayi Inositol-1 0.0078 0.0127 0.0127
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0059 0.0119
Onchocerca volvulus 0.0011 0.0002 0.0002
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0059 0.0119
Brugia malayi Cytochrome P450 family protein 0.0017 0.0013 0.0013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0072 0.0072
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0033 0.0033
Brugia malayi Associated with TFs and helicases family protein 0.0011 0.0002 0.0002
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0013 0.0013

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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