Detailed information for compound 1480712

Basic information

Technical information
  • TDR Targets ID: 1480712
  • Name: 2-(methyl-propan-2-ylamino)ethyl 2-chlorobenz oate
  • MW: 255.741 | Formula: C13H18ClNO2
  • H donors: 0 H acceptors: 1 LogP: 3.24 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(C)C)CCOC(=O)c1ccccc1Cl
  • InChi: 1S/C13H18ClNO2/c1-10(2)15(3)8-9-17-13(16)11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3
  • InChiKey: XEOBNNFHUWDNLH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(isopropyl-methyl-amino)ethyl 2-chlorobenzoate
  • 2-chlorobenzoic acid 2-(isopropyl-methylamino)ethyl ester
  • 2-chlorobenzoic acid 2-(isopropyl-methyl-amino)ethyl ester
  • 2-(methyl-propan-2-yl-amino)ethyl 2-chlorobenzoate
  • STK098661

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 Common central domain of tyrosinase family protein 0.0503 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0497 0.0497
Onchocerca volvulus 0.0503 1 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0497 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0497 0.0497
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0497 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0497 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0497 0.6716
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.074 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0497 0.5
Loa Loa (eye worm) hypothetical protein 0.0503 1 1
Plasmodium falciparum LCCL domain-containing protein 0.0019 0 0.5
Brugia malayi beta-lactamase family protein 0.0043 0.0497 0.0497
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.074 0.074
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0503 1 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0497 0.6716
Loa Loa (eye worm) beta-lactamase 0.0043 0.0497 0.0497
Mycobacterium ulcerans hypothetical protein 0.0043 0.0497 0.5
Schistosoma mansoni lipoxygenase 0.0054 0.0723 0.0723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.074 0.074
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.074 0.074
Leishmania major hypothetical protein, conserved 0.0043 0.0497 0.5
Mycobacterium leprae Probable lipase LipE 0.0043 0.0497 0.5
Mycobacterium ulcerans lipase LipD 0.0043 0.0497 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0497 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0497 0.0497
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0497 0.0497
Onchocerca volvulus 0.0043 0.0497 0.0497
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.074 1
Onchocerca volvulus 0.0503 1 1
Loa Loa (eye worm) tyrosinase 1 0.0503 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0497 0.5
Onchocerca volvulus 0.0043 0.0497 0.0497
Onchocerca volvulus 0.0503 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0497 0.5
Schistosoma mansoni tyrosinase precursor 0.0503 1 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0503 1 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0497 1
Onchocerca volvulus 0.0503 1 1
Loa Loa (eye worm) ShTK domain-containing protein 0.0503 1 1
Brugia malayi beta-lactamase 0.0043 0.0497 0.0497
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.0723 0.9768
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0503 1 1
Loa Loa (eye worm) ShTK domain-containing protein 0.0503 1 1
Toxoplasma gondii ABC1 family protein 0.0043 0.0497 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0497 0.0497
Loa Loa (eye worm) hypothetical protein 0.0043 0.0497 0.0497
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0497 0.5
Onchocerca volvulus 0.0043 0.0497 0.0497
Trichomonas vaginalis esterase, putative 0.0043 0.0497 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0497 0.0497
Loa Loa (eye worm) hypothetical protein 0.0043 0.0497 0.0497
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.074 0.074
Schistosoma mansoni tyrosinase precursor 0.0503 1 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.0497 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.074 1
Brugia malayi beta-lactamase family protein 0.0043 0.0497 0.0497
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0503 1 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.0723 0.9768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.074 0.074
Loa Loa (eye worm) hypothetical protein 0.0503 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.074 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0497 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.5339 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0497 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0497 0.0497
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0497 0.0497
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0497 0.5

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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