Detailed information for compound 1069017

Basic information

Technical information
  • TDR Targets ID: 1069017
  • Name: N-[2-(3-chlorophenyl)ethyl]quinazoline-4,6-di amine
  • MW: 298.77 | Formula: C16H15ClN4
  • H donors: 2 H acceptors: 2 LogP: 3.76 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)CCNc1ncnc2c1cc(N)cc2
  • InChi: 1S/C16H15ClN4/c17-12-3-1-2-11(8-12)6-7-19-16-14-9-13(18)4-5-15(14)20-10-21-16/h1-5,8-10H,6-7,18H2,(H,19,20,21)
  • InChiKey: QULLWCPLDGXUJE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (6-aminoquinazolin-4-yl)-[2-(3-chlorophenyl)ethyl]amine
  • 4,6-Quinazolinediamine, N4-[2-(3-chlorophenyl)ethyl]-
  • AIDS-181287
  • AIDS181287

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
Schistosoma mansoni hypothetical protein 0.0101 0.0459 0.269
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0011 0.0399
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0396 0.1425
Loa Loa (eye worm) hypothetical protein 0.0072 0.0271 0.0963
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.0459 0.1633
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.0396 0.1409
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.0011 0.0038
Loa Loa (eye worm) hypothetical protein 0.0072 0.0271 0.0963
Onchocerca volvulus 0.0072 0.0271 0.6461
Loa Loa (eye worm) hypothetical protein 0.0072 0.0271 0.0963
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0011 0.0011
Trichomonas vaginalis esterase, putative 0.0072 0.0271 1
Echinococcus granulosus tumor protein p63 0.0333 0.1941 0.6978
Loa Loa (eye worm) Smad1 0.0032 0.0018 0.0065
Echinococcus granulosus survival motor neuron protein 1 0.0465 0.2782 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.0438 0.2563
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.0428 0.1539
Brugia malayi Smad1 0.0032 0.0018 0.0065
Loa Loa (eye worm) hypothetical protein 0.0049 0.0125 0.0445
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0125 0.0734
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0269 0.1575
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.0692 0.0692
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0271 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0458 0.2733 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.013 0.4599
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0044 0.0157
Schistosoma mansoni hypothetical protein 0.004 0.0068 0.0399
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.0271 0.0963
Loa Loa (eye worm) MH1 domain-containing protein 0.0032 0.0018 0.0065
Plasmodium vivax hypothetical protein, conserved 0.0072 0.0271 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.013 0.4599
Trypanosoma brucei protein kinase, putative 0.005 0.013 0.4599
Schistosoma mansoni smad1 5 8 and 0.0032 0.0018 0.0107
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0271 0.1586
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0269 0.0967
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0078 0.0279
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0072 0.0271 0.0955
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0078 0.0279
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0396 0.2321
Schistosoma mansoni hypothetical protein 0.0047 0.0113 0.066
Toxoplasma gondii ABC1 family protein 0.0072 0.0271 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0124 0.0607 0.0607
Echinococcus multilocularis mothers against decapentaplegic 5 0.0032 0.0018 0.0018
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0271 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.0271 0.0974
Loa Loa (eye worm) hypothetical protein 0.0105 0.0485 0.1724
Entamoeba histolytica hypothetical protein 0.0071 0.0269 0.5858
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.013 0.4599
Onchocerca volvulus 0.0095 0.0419 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0078 0.0276
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0039 0.0229
Brugia malayi jmjC domain containing protein 0.0095 0.0423 0.1504
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.0271 0.0963
Loa Loa (eye worm) beta-lactamase 0.0072 0.0271 0.0963
Echinococcus granulosus mitogen activated protein kinase 0.005 0.013 0.0469
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.0849 0.0849
Brugia malayi hypothetical protein 0.0465 0.2782 0.9887
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0423 0.0423
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0113 0.0401
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0032 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0072 0.0271 0.0963
Loa Loa (eye worm) hypothetical protein 0.0096 0.0428 0.1522
Giardia lamblia Kinase, CMGC MAPK 0.005 0.013 1
Brugia malayi MH2 domain containing protein 0.0032 0.0018 0.0065
Onchocerca volvulus 0.0094 0.0412 0.9835
Echinococcus multilocularis Smad4 0.0032 0.0018 0.0018
Brugia malayi MH2 domain containing protein 0.047 0.2814 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.013 0.3821
Schistosoma mansoni hypothetical protein 0.004 0.0068 0.0399
Loa Loa (eye worm) hypothetical protein 0.0275 0.1567 0.5568
Mycobacterium ulcerans hypothetical protein 0.0072 0.0271 0.5
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0044 0.1608
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.013 0.4599
Brugia malayi MH1 domain containing protein 0.0032 0.0018 0.0065
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.0428 0.1522
Loa Loa (eye worm) hypothetical protein 0.005 0.0133 0.0472
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0396 0.2321
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.0271 0.0271
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0271 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0113 0.0405
Loa Loa (eye worm) hypothetical protein 0.0275 0.1567 0.5568
Echinococcus granulosus TGF beta signal transducer SmadC 0.0032 0.0018 0.0066
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0148 0.0758 0.2695
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0148 0.0758 0.2695
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0011 0.0011
Echinococcus granulosus GPCR family 2 0.0047 0.0113 0.0405
Schistosoma mansoni smad 0.0032 0.0018 0.0107
Echinococcus granulosus mothers against decapentaplegic 5 0.0032 0.0018 0.0066
Mycobacterium tuberculosis Probable esterase LipL 0.0072 0.0271 0.0955
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.0428 0.0428
Onchocerca volvulus 0.0049 0.0125 0.2988
Schistosoma mansoni Smad4 0.0032 0.0018 0.0107
Schistosoma mansoni hypothetical protein 0.0095 0.0419 0.2455
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0.0011 0.0399
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0113 0.0401
Brugia malayi jmjC domain containing protein 0.0035 0.0039 0.0139
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0297 0.1708 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.013 0.013
Mycobacterium tuberculosis Probable lipase LipD 0.0072 0.0271 0.0955
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0162 0.0849 0.3016
Entamoeba histolytica hypothetical protein 0.0071 0.0269 0.5858
Loa Loa (eye worm) hypothetical protein 0.0072 0.0271 0.0963
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0271 1
Echinococcus multilocularis tumor protein p63 0.0333 0.1941 0.1941
Schistosoma mansoni hypothetical protein 0.004 0.0068 0.0399
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0298 0.1745
Echinococcus granulosus Smad4 0.0032 0.0018 0.0066
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0106 0.0488 0.1736
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0396 0.0396
Schistosoma mansoni hypothetical protein 0.004 0.0068 0.0399
Schistosoma mansoni alpha-glucosidase 0.014 0.0705 0.4125
Mycobacterium ulcerans lipase LipD 0.0072 0.0271 0.5
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0078 0.0078
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0031 0.0011 0.0011
Echinococcus multilocularis smad 0.0032 0.0018 0.0018
Onchocerca volvulus 0.0072 0.0271 0.6461
Mycobacterium tuberculosis Conserved protein 0.0072 0.0271 0.0955
Schistosoma mansoni hypothetical protein 0.0124 0.0607 0.3551
Brugia malayi CHE-14 protein 0.0041 0.0078 0.0276
Mycobacterium leprae conserved hypothetical protein 0.0072 0.0271 0.5
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0073 0.0262
Mycobacterium ulcerans esterase/lipase LipP 0.0072 0.0271 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.013 0.4599
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0039 0.0139
Brugia malayi Isocitrate dehydrogenase 0.0031 0.0011 0.0038
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0271 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0396 0.1425
Leishmania major hypothetical protein, conserved 0.0072 0.0271 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0032 0.0018 0.0107
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0396 0.2321
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.013 0.013
Trichomonas vaginalis CMGC family protein kinase 0.005 0.013 0.3821
Trichomonas vaginalis CMGC family protein kinase 0.005 0.013 0.3821
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.0849 0.0849
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0044 0.1259
Schistosoma mansoni thyroid hormone receptor 0.0134 0.067 0.3923
Schistosoma mansoni serine/threonine protein kinase 0.005 0.013 0.0764
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0113 0.0113
Echinococcus multilocularis transcription factor eb 0.0106 0.0488 0.0488
Schistosoma mansoni patched 1 0.0041 0.0078 0.0454
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0269 0.0269
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0031 0.0011 0.0063
Mycobacterium tuberculosis Conserved protein 0.0072 0.0271 0.0955
Echinococcus granulosus smad 0.0032 0.0018 0.0066
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0072 0.0271 0.5
Brugia malayi MAP kinase sur-1 0.005 0.013 0.0464
Brugia malayi beta-lactamase family protein 0.0072 0.0271 0.0963
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.013 0.0464
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.0428 1
Mycobacterium ulcerans beta-lactamase 0.0072 0.0271 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0011 0.0399
Schistosoma mansoni alpha glucosidase 0.0036 0.0044 0.0255
Echinococcus granulosus transcription factor eb 0.0106 0.0488 0.1756
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0011 0.0011
Brugia malayi Glycosyl hydrolases family 31 protein 0.0162 0.0849 0.3016
Loa Loa (eye worm) MH2 domain-containing protein 0.047 0.2814 1
Mycobacterium leprae Probable lipase LipE 0.0072 0.0271 0.5
Entamoeba histolytica hypothetical protein 0.0071 0.0269 0.5858
Brugia malayi MH2 domain containing protein 0.0032 0.0018 0.0065
Schistosoma mansoni alpha-glucosidase 0.014 0.0705 0.4125
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0297 0.1708 0.6071
Brugia malayi beta-lactamase family protein 0.0072 0.0271 0.0963
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0113 0.0405
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0031 0.0011 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0044 0.1259
Onchocerca volvulus 0.0072 0.0271 0.6461
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0039 0.0141
Loa Loa (eye worm) hypothetical protein 0.0148 0.0758 0.2695
Brugia malayi Calcitonin receptor-like protein seb-1 0.0148 0.0758 0.2695
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0031 0.0011 0.0039
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0113 0.0113
Schistosoma mansoni survival motor neuron protein 0.0095 0.0419 0.2455
Schistosoma mansoni smad1 5 8 and 0.0032 0.0018 0.0107
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0423 0.1522
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0039 0.0229
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0072 0.0271 0.0955
Echinococcus multilocularis survival motor neuron protein 1 0.0465 0.2782 0.2782
Loa Loa (eye worm) hypothetical protein 0.0072 0.0271 0.0963
Brugia malayi isocitrate dehydrogenase 0.0031 0.0011 0.0038
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0044 0.0155
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.013 0.4599
Trypanosoma brucei glucosidase, putative 0.0036 0.0044 0.1259
Loa Loa (eye worm) hypothetical protein 0.0297 0.1708 0.6071
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.013 0.4599
Schistosoma mansoni hypothetical protein 0.0047 0.0113 0.066
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0072 0.0271 0.0955
Mycobacterium tuberculosis Probable hydrolase 0.0072 0.0271 0.0955
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0271 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0134 0.067 0.067
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0044 0.0155
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0113 0.0401
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.013 0.0469
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0044 0.1259
Schistosoma mansoni smad1 5 8 and 0.0032 0.0018 0.0107
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.0271 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0271 0.1586
Loa Loa (eye worm) MH2 domain-containing protein 0.0032 0.0018 0.0065
Brugia malayi MH1 domain containing protein 0.0032 0.0018 0.0065
Echinococcus multilocularis isocitrate dehydrogenase 0.0031 0.0011 0.0011
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0124 0.0607 0.218
Echinococcus granulosus lysosomal alpha glucosidase 0.0162 0.0849 0.3051
Loa Loa (eye worm) hypothetical protein 0.0465 0.2782 0.9887
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0297 0.1708 0.6071
Schistosoma mansoni thyroid hormone receptor 0.0134 0.067 0.3923
Loa Loa (eye worm) hypothetical protein 0.0101 0.0459 0.1633
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0039 0.0039
Brugia malayi hypothetical protein 0.0071 0.0269 0.0956
Loa Loa (eye worm) hypothetical protein 0.0047 0.0113 0.0401
Loa Loa (eye worm) hypothetical protein 0.0051 0.0137 0.0487
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0198 0.0704
Entamoeba histolytica hypothetical protein 0.0071 0.0269 0.5858
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.013 0.4814
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.0692 0.2487
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.0396 0.1409
Mycobacterium tuberculosis Conserved protein 0.0072 0.0271 0.0955
Mycobacterium tuberculosis Probable lipase LipE 0.0072 0.0271 0.0955
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0396 0.0396
Schistosoma mansoni hypothetical protein 0.0071 0.0269 0.1575
Loa Loa (eye worm) hypothetical protein 0.0275 0.1567 0.5568
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0078 0.1497
Schistosoma mansoni hypothetical protein 0.0047 0.0113 0.066
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0073 0.0073
Schistosoma mansoni hypothetical protein 0.0047 0.0113 0.066
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0105 0.0485 0.1724
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0044 0.0044
Echinococcus multilocularis expressed conserved protein 0.009 0.0391 0.0391
Loa Loa (eye worm) transcription factor SMAD2 0.047 0.2814 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.013 0.3821
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0078 0.0276
Echinococcus granulosus expressed conserved protein 0.009 0.0391 0.1406
Echinococcus multilocularis GPCR, family 2 0.0047 0.0113 0.0113
Echinococcus multilocularis protein patched 0.0041 0.0078 0.0078
Echinococcus multilocularis protein dispatched 1 0.0047 0.0115 0.0115
Brugia malayi beta-lactamase 0.0072 0.0271 0.0963
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0271 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0095 0.0419 0.149

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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