Detailed information for compound 1514018

Basic information

Technical information
  • TDR Targets ID: 1514018
  • Name: 2-(4-diethylaminophenyl)-6-methylbenzotriazol -5-amine
  • MW: 295.382 | Formula: C17H21N5
  • H donors: 1 H acceptors: 2 LogP: 3.87 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ccc(cc1)n1nc2c(n1)cc(c(c2)N)C)CC
  • InChi: 1S/C17H21N5/c1-4-21(5-2)13-6-8-14(9-7-13)22-19-16-10-12(3)15(18)11-17(16)20-22/h6-11H,4-5,18H2,1-3H3
  • InChiKey: WRIPKYOZKAJHRL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-amine
  • 2-(4-diethylaminophenyl)-6-methyl-5-benzotriazolamine
  • [4-(5-amino-6-methyl-benzotriazol-2-yl)phenyl]-diethyl-amine
  • Oprea1_856135
  • ZINC00459758
  • STK101977

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
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0825 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0303 0.8645 1
Schistosoma mansoni DNA polymerase eta 0.002 0.0374 0.0374
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0374 0.0257
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1149 0.1685
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0394 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0265 0.0265
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0374 0.0257
Schistosoma mansoni Smad4 0.0016 0.0265 0.0265
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1149 0.1149
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0265 0.0265
Schistosoma mansoni DNA helicase recq1 0.001 0.0072 0.0072
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0374 0.0257
Mycobacterium ulcerans beta-lactamase 0.0036 0.0825 0.1105
Loa Loa (eye worm) nuclear factor I 0.0009 0.0051 0.0075
Loa Loa (eye worm) Smad1 0.0016 0.0265 0.0389
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0374 0.0257
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0144 0.3978 0.4503
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0192 0.0042
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0825 0.0825
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1149 0.1149
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.1031 0.1031
Loa Loa (eye worm) hypothetical protein 0.0119 0.3273 0.4799
Schistosoma mansoni hypothetical protein 0.0182 0.5093 0.5093
Toxoplasma gondii ABC1 family protein 0.0036 0.0825 0.659
Loa Loa (eye worm) hypothetical protein 0.002 0.0374 0.0549
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.0072 0.0072
Onchocerca volvulus 0.0036 0.0825 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0374 0.0257
Echinococcus multilocularis Smad4 0.0016 0.0265 0.0265
Loa Loa (eye worm) beta-lactamase 0.0036 0.0825 0.1209
Brugia malayi MH2 domain containing protein 0.0016 0.0265 0.0389
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0265 0.0265
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1149 0.1149
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0374 0.0257
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0374 0.0374
Leishmania major DNA polymerase eta, putative 0.002 0.0374 0.0257
Leishmania major mitochondrial DNA polymerase beta 0.0303 0.8645 1
Schistosoma mansoni smad1 5 8 and 0.0016 0.0265 0.0265
Echinococcus multilocularis smad 0.0016 0.0265 0.0265
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0374 0.0257
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0374 0.0257
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0303 0.8645 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0825 0.1209
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0192 0.0042
Mycobacterium leprae Probable lipase LipE 0.0036 0.0825 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0825 1
Schistosoma mansoni smad 0.0016 0.0265 0.0265
Brugia malayi MH1 domain containing protein 0.0009 0.0051 0.0075
Brugia malayi beta-lactamase 0.0036 0.0825 0.1209
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0374 0.0257
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0072 0.0105
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0825 0.0745
Loa Loa (eye worm) transcription factor SMAD2 0.0241 0.682 1
Echinococcus granulosus dna polymerase kappa 0.002 0.0374 0.0374
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.3978 0.4503
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0479 0.0702
Mycobacterium ulcerans lipase LipD 0.0036 0.0825 0.1105
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0374 0.0257
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0825 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0374 0.0549
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0825 0.0825
Leishmania major DNA polymerase kappa, putative 0.002 0.0374 0.0257
Mycobacterium tuberculosis Conserved protein 0.0036 0.0825 0.0745
Echinococcus multilocularis dna polymerase eta 0.002 0.0374 0.0374
Mycobacterium tuberculosis Conserved protein 0.0036 0.0825 0.0745
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0825 0.1209
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0333 0.0333
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.0072 0.0072
Mycobacterium tuberculosis Conserved hypothetical protein 0.016 0.4452 0.674
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0825 0.0745
Toxoplasma gondii hypothetical protein 0.0049 0.1215 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0825 0.1209
Trichomonas vaginalis esterase, putative 0.0036 0.0825 1
Schistosoma mansoni DNA helicase recq5 0.001 0.0072 0.0072
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1149 0.1149
Trypanosoma brucei unspecified product 0.0014 0.0192 0.0042
Brugia malayi MH1 domain containing protein 0.0016 0.0265 0.0389
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0825 0.0745
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0374 0.0374
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0374 0.0257
Loa Loa (eye worm) RecQ helicase 0.0024 0.0479 0.0702
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.1031 0.1031
Loa Loa (eye worm) hypothetical protein 0.0009 0.0051 0.0075
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0825 0.0788
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0374 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.1031 0.1031
Loa Loa (eye worm) hypothetical protein 0.0036 0.0825 0.1209
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0825 1
Brugia malayi MH2 domain containing protein 0.0241 0.682 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0374 0.0374
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0265 0.0265
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1149 0.1149
Brugia malayi beta-lactamase family protein 0.0036 0.0825 0.1209
Trypanosoma brucei unspecified product 0.002 0.0374 0.0257
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0374 0.0549
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1149 0.1149
Brugia malayi MH2 domain containing protein 0.0016 0.0265 0.0389
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0479 0.0479
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0825 0.1105
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0479 0.4824
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.1304 0.1352
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0374 0.0257
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.0072 0.0072
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0825 0.0825
Echinococcus granulosus smad 0.0016 0.0265 0.0265
Schistosoma mansoni smad1 5 8 and 0.0016 0.0265 0.0265
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0374 0.3263
Echinococcus granulosus dna polymerase eta 0.002 0.0374 0.0374
Loa Loa (eye worm) hypothetical protein 0.0036 0.0825 0.1209
Echinococcus granulosus Smad4 0.0016 0.0265 0.0265
Echinococcus multilocularis dna polymerase kappa 0.002 0.0374 0.0374
Brugia malayi MH1 domain containing protein 0.0009 0.0051 0.0075
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0825 0.0745
Giardia lamblia DINP protein human, muc B family 0.002 0.0374 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0825 0.0825
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0374 0.0257
Loa Loa (eye worm) MH2 domain-containing protein 0.0241 0.682 1
Schistosoma mansoni smad1 5 8 and 0.0016 0.0265 0.0265
Loa Loa (eye worm) hypothetical protein 0.001 0.0072 0.0105
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0374 0.0257
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0374 0.0549
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0825 0.1105
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0265 0.0389
Brugia malayi MH1 domain containing protein 0.0016 0.0265 0.0389
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.3978 0.4503
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0374 0.0374
Mycobacterium tuberculosis Conserved protein 0.0036 0.0825 0.0745
Loa Loa (eye worm) hypothetical protein 0.0036 0.0825 0.1209
Echinococcus granulosus bloom syndrome protein 0.0024 0.0479 0.0479
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0265 0.0265
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0374 0.3263
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0374 0.0257
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.1031 0.1031
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0374 0.0257
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0192 0.0042
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0825 0.0788
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0479 0.4824
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0374 0.0257
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1149 0.1685
Onchocerca volvulus 0.0036 0.0825 1
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0374 0.0257
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0825 0.5
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0249 0.1548
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0374 0.0257
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.0072 0.0072
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0825 0.0745
Brugia malayi Smad1 0.0016 0.0265 0.0389
Mycobacterium ulcerans hypothetical protein 0.016 0.4452 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0265 0.0389
Brugia malayi beta-lactamase family protein 0.0036 0.0825 0.1209
Loa Loa (eye worm) hypothetical protein 0.0036 0.0825 0.1209
Loa Loa (eye worm) hypothetical protein 0.0036 0.0825 0.1209
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0825 0.0745
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0072 0.0105
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0825 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0303 0.8645 1
Mycobacterium ulcerans hypothetical protein 0.0036 0.0825 0.1105
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0825 0.0745
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.0072 0.0105
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.6424 1
Trypanosoma brucei unspecified product 0.0014 0.0192 0.0042
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0072 0.0000000011397
Onchocerca volvulus 0.0036 0.0825 1
Leishmania major hypothetical protein, conserved 0.0036 0.0825 0.0788
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0825 0.0788
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0825 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1149 0.1149
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0374 0.0257

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.8 uM Activation of UTRN promoter in mouse H2K cells assessed as upregulation of UTRN production after 48 hrs by luciferase reporter linked assay ChEMBL. 21456623

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 21456623

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.