Detailed information for compound 1068409

Basic information

Technical information
  • TDR Targets ID: 1068409
  • Name: N-[2-(3-methoxyphenyl)ethyl]quinazoline-4,6-d iamine
  • MW: 294.351 | Formula: C17H18N4O
  • H donors: 2 H acceptors: 2 LogP: 3.1 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CCNc1ncnc2c1cc(N)cc2
  • InChi: 1S/C17H18N4O/c1-22-14-4-2-3-12(9-14)7-8-19-17-15-10-13(18)5-6-16(15)20-11-21-17/h2-6,9-11H,7-8,18H2,1H3,(H,19,20,21)
  • InChiKey: FDVSUOPMXSTSLG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (6-aminoquinazolin-4-yl)-[2-(3-methoxyphenyl)ethyl]amine
  • 4,6-Quinazolinediamine, N4-[2-(3-methoxyphenyl)ethyl]-
  • AIDS-181290
  • AIDS181290

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
Mycobacterium leprae Probable lipase LipE 0.0035 0.0191 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0134 0.1323 1
Mycobacterium ulcerans beta-lactamase 0.0035 0.0191 0.1445
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0191 0.564
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0191 0.564
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0191 0.564
Brugia malayi Calcitonin receptor-like protein seb-1 0.0308 0.3307 0.6115
Echinococcus granulosus GPCR family 2 0.0097 0.0903 0.1289
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0044 0.0288 0.0533
Trichomonas vaginalis importin beta-1, putative 0.0048 0.0339 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0191 0.0273
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0191 0.564
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0191 0.3384
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0097 0.0903 0.0903
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0631 0.7007 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0215 0.1623
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0191 0.0354
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0068 0.0565 0.4272
Schistosoma mansoni aldehyde dehydrogenase 0.0134 0.1323 0.1888
Schistosoma mansoni hypothetical protein 0.0341 0.3687 0.5262
Echinococcus granulosus tar DNA binding protein 0.0124 0.1209 0.1725
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0239 0.0341
Brugia malayi MH2 domain containing protein 0.0033 0.0174 0.0321
Loa Loa (eye worm) hypothetical protein 0.0035 0.0191 0.0273
Loa Loa (eye worm) transcription factor SMAD2 0.0491 0.5408 0.7718
Mycobacterium ulcerans aldehyde dehydrogenase 0.0134 0.1323 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.2348 1
Schistosoma mansoni Smad4 0.0033 0.0174 0.0248
Echinococcus granulosus GTP binding nuclear protein Ran 0.0044 0.0288 0.0412
Trypanosoma brucei importin beta-1 subunit, putative 0.0059 0.0467 0.8263
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0215 0.38
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0097 0.0903 0.1671
Echinococcus multilocularis importin subunit beta 1 0.0059 0.0467 0.0467
Trypanosoma brucei importin beta-1 subunit, putative 0.0059 0.0467 0.8263
Loa Loa (eye worm) hypothetical protein 0.0097 0.0903 0.1289
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.1364 0.1946
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0265 0.0265
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0215 0.6333
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0191 0.0814
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0215 0.0215
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0044 0.0288 0.5104
Loa Loa (eye worm) hypothetical protein 0.0052 0.0387 0.0553
Entamoeba histolytica hypothetical protein 0.0048 0.0339 0.6
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0191 0.3384
Schistosoma mansoni smad 0.0033 0.0174 0.0248
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0191 0.564
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0191 0.0814
Echinococcus multilocularis smad 0.0033 0.0174 0.0174
Toxoplasma gondii aldehyde dehydrogenase 0.0134 0.1323 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0191 0.0273
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.1364 0.1946
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.1364 0.1364
Brugia malayi MH1 domain containing protein 0.0033 0.0174 0.0321
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0068 0.0565 0.0806
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.017 0.0725
Mycobacterium tuberculosis Conserved protein 0.0035 0.0191 0.0814
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0044 0.0288 0.218
Schistosoma mansoni hypothetical protein 0.0341 0.3687 0.5262
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.1364 0.1946
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0308 0.3307 0.4719
Toxoplasma gondii ABC1 family protein 0.0035 0.0191 0.1445
Loa Loa (eye worm) hypothetical protein 0.0035 0.0191 0.0273
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.0174 0.0248
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0215 0.38
Plasmodium vivax importin-beta 2, putative 0.0059 0.0467 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0068 0.0565 0.0565
Loa Loa (eye worm) MH2 domain-containing protein 0.0491 0.5408 0.7718
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0174 0.0248
Brugia malayi RNA binding protein 0.0124 0.1209 0.2235
Brugia malayi RNA recognition motif domain containing protein 0.0124 0.1209 0.2235
Loa Loa (eye worm) hypothetical protein 0.0019 0.0003 0.0004
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0191 0.0814
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0044 0.0288 0.0412
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1209 0.1725
Entamoeba histolytica hypothetical protein 0.0041 0.0265 0.4685
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0215 0.38
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0215 0.1623
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0044 0.0288 0.6177
Brugia malayi hypothetical protein 0.0041 0.0265 0.049
Echinococcus multilocularis snurportin 1 0.0631 0.7007 0.7007
Entamoeba histolytica hypothetical protein 0.0041 0.0265 0.4685
Brugia malayi MH1 domain containing protein 0.0033 0.0174 0.0321
Loa Loa (eye worm) hypothetical protein 0.021 0.2195 0.3132
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0134 0.1323 0.5633
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0044 0.0288 1
Entamoeba histolytica hypothetical protein 0.0041 0.0265 0.4685
Loa Loa (eye worm) hypothetical protein 0.0035 0.0191 0.0273
Mycobacterium ulcerans aldehyde dehydrogenase 0.0134 0.1323 1
Leishmania major hypothetical protein, conserved 0.0035 0.0191 0.1445
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.1364 0.1946
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0215 0.1623
Schistosoma mansoni hypothetical protein 0.021 0.2195 0.3132
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.0174 0.0174
Brugia malayi MH1 domain containing protein 0.0019 0.0003 0.0005
Trichomonas vaginalis ran, putative 0.0044 0.0288 0.8507
Schistosoma mansoni smad1 5 8 and 0.0033 0.0174 0.0248
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0191 0.4095
Mycobacterium tuberculosis Conserved protein 0.0035 0.0191 0.0814
Schistosoma mansoni ran 0.0044 0.0288 0.0412
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0215 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0215 0.38
Brugia malayi Inositol-1 0.0037 0.0215 0.0397
Echinococcus multilocularis GPCR, family 2 0.0097 0.0903 0.0903
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.0174 0.0248
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0565 1
Schistosoma mansoni hypothetical protein 0.0097 0.0903 0.1289
Schistosoma mansoni importin beta-1 0.0059 0.0467 0.0666
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0565 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0191 0.0273
Leishmania major GTP-binding protein, putative 0.0044 0.0288 0.218
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0191 0.0814
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.1364 0.1364
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0044 0.0288 0.0288
Brugia malayi beta-lactamase family protein 0.0035 0.0191 0.0354
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0134 0.1323 0.1888
Entamoeba histolytica hypothetical protein 0.0041 0.0265 0.4685
Plasmodium falciparum importin beta, putative 0.0059 0.0467 1
Brugia malayi RNA, U transporter 1 0.0168 0.1713 0.3168
Entamoeba histolytica Ran family GTPase 0.0044 0.0288 0.5104
Loa Loa (eye worm) inositol-1 0.0037 0.0215 0.0306
Loa Loa (eye worm) Smad1 0.0033 0.0174 0.0248
Echinococcus multilocularis geminin 0.0341 0.3687 0.3687
Mycobacterium ulcerans lipase LipD 0.0035 0.0191 0.1445
Loa Loa (eye worm) latrophilin receptor protein 2 0.0097 0.0903 0.1289
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0134 0.1323 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.0174 0.0248
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0565 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0191 0.0191
Echinococcus granulosus tumor protein p63 0.0356 0.3865 0.5516
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0068 0.0565 0.0806
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0191 0.1445
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0138 0.1364 0.1946
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.1364 0.1946
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0124 0.1209 0.1725
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0191 0.3384
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1209 0.1725
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0265 0.0378
Brugia malayi Smad1 0.0033 0.0174 0.0321
Schistosoma mansoni smad1 5 8 and 0.0033 0.0174 0.0248
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0191 0.0814
Schistosoma mansoni hypothetical protein 0.0097 0.0903 0.1289
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1209 0.1725
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0215 0.0306
Echinococcus granulosus smad 0.0033 0.0174 0.0248
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0191 0.0273
Brugia malayi beta-lactamase 0.0035 0.0191 0.0354
Leishmania major importin beta-1 subunit, putative 0.0048 0.0339 0.2563
Loa Loa (eye worm) hypothetical protein 0.0308 0.3307 0.4719
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0215 0.6333
Echinococcus granulosus Smad4 0.0033 0.0174 0.0248
Loa Loa (eye worm) hypothetical protein 0.0035 0.0191 0.0273
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0308 0.3307 0.6115
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0387 0.0553
Brugia malayi Importin beta-1 subunit 0.0059 0.0467 0.0863
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0097 0.0903 0.0903
Brugia malayi MH2 domain containing protein 0.0491 0.5408 1
Brugia malayi latrophilin 2 splice variant baaae 0.021 0.2195 0.4058
Schistosoma mansoni hypothetical protein 0.0631 0.7007 1
Schistosoma mansoni hypothetical protein 0.0097 0.0903 0.1289
Schistosoma mansoni smad1 5 8 and 0.0033 0.0174 0.0248
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0191 0.0273
Echinococcus multilocularis Smad4 0.0033 0.0174 0.0174
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0433 0.0618
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1209 0.1725
Mycobacterium ulcerans hypothetical protein 0.0035 0.0191 0.1445
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0239 0.0239
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0134 0.1323 0.1323
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0215 0.6333
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0068 0.0565 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0048 0.0339 0.6
Schistosoma mansoni aldehyde dehydrogenase 0.0134 0.1323 0.1888
Loa Loa (eye worm) hypothetical protein 0.0035 0.0191 0.0273
Echinococcus granulosus importin subunit beta 1 0.0059 0.0467 0.0666
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0044 0.0288 0.5104
Echinococcus multilocularis tar DNA binding protein 0.0124 0.1209 0.1209
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0174 0.0248
Trichomonas vaginalis esterase, putative 0.0035 0.0191 0.564
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0097 0.0903 0.1289
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0191 1
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0265 0.0378
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0044 0.0288 0.6177
Loa Loa (eye worm) nuclear factor I 0.0019 0.0003 0.0004
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0191 0.0814
Schistosoma mansoni inositol monophosphatase 0.0037 0.0215 0.0306
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0044 0.0288 0.5104
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0068 0.0565 0.0806
Mycobacterium tuberculosis Conserved protein 0.0035 0.0191 0.0814
Schistosoma mansoni ran 0.0044 0.0288 0.0412
Brugia malayi Latrophilin receptor protein 2 0.0097 0.0903 0.1671
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0191 0.0814
Loa Loa (eye worm) hypothetical protein 0.0059 0.0467 0.0666
Echinococcus multilocularis tumor protein p63 0.0356 0.3865 0.3865
Onchocerca volvulus 0.0052 0.0387 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0138 0.1364 0.2522
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0191 0.1445
Schistosoma mansoni hypothetical protein 0.0041 0.0265 0.0378
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0191 0.0273
Brugia malayi MH2 domain containing protein 0.0033 0.0174 0.0321
Loa Loa (eye worm) RNA binding protein 0.0124 0.1209 0.1725
Brugia malayi beta-lactamase family protein 0.0035 0.0191 0.0354
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.0174 0.0174
Schistosoma mansoni inositol monophosphatase 0.0037 0.0215 0.0306
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0068 0.0565 0.1045
Toxoplasma gondii HEAT repeat-containing protein 0.0059 0.0467 0.353
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0048 0.0339 1
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1209 0.1725
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0097 0.0903 0.1289
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0048 0.0339 1
Schistosoma mansoni hypothetical protein 0.0097 0.0903 0.1289
Loa Loa (eye worm) TAR-binding protein 0.0124 0.1209 0.1725
Echinococcus granulosus snurportin 1 0.0631 0.7007 1
Brugia malayi TAR-binding protein 0.0124 0.1209 0.2235
Brugia malayi MH1 domain containing protein 0.0019 0.0003 0.0005
Echinococcus granulosus geminin 0.0341 0.3687 0.5262
Brugia malayi Cytochrome P450 family protein 0.0056 0.0433 0.0801

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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