Detailed information for compound 1014866

Basic information

Technical information
  • TDR Targets ID: 1014866
  • Name: 6-[[6-[(3-aminophenyl)amino]-9-[2-(4-aminophe nyl)ethyl]purin-2-yl]amino]hexan-1-ol
  • MW: 460.575 | Formula: C25H32N8O
  • H donors: 5 H acceptors: 4 LogP: 3.52 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCCCCCNc1nc(Nc2cccc(c2)N)c2c(n1)n(CCc1ccc(cc1)N)cn2
  • InChi: 1S/C25H32N8O/c26-19-10-8-18(9-11-19)12-14-33-17-29-22-23(30-21-7-5-6-20(27)16-21)31-25(32-24(22)33)28-13-3-1-2-4-15-34/h5-11,16-17,34H,1-4,12-15,26-27H2,(H2,28,30,31,32)
  • InChiKey: SLMFEJGCNRJKFJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[[6-[(3-aminophenyl)amino]-9-[2-(4-aminophenyl)ethyl]-2-purinyl]amino]hexan-1-ol

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
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0023 0.0207 0.5436
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.1195 0.1195
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0994 0.0994
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0019 0.0105 0.198
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0152 0.3134
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0078 0.0093
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0989 0.2949
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Schistosoma mansoni ran 0.0021 0.0152 0.0152
Brugia malayi hypothetical protein 0.0088 0.2143 0.639
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Brugia malayi hypothetical protein 0.0129 0.3354 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Schistosoma mansoni ran 0.0021 0.0152 0.0152
Echinococcus granulosus snurportin 1 0.03 0.8391 0.8391
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0019 0.0105 0.0105
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0019 0.0105 0.1139
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0371 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.1195 0.1195
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0019 0.0105 0.1139
Toxoplasma gondii target of rapamycin (TOR), putative 0.0019 0.0105 0.0921
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0019 0.0105 0.0921
Loa Loa (eye worm) hypothetical protein 0.0088 0.2143 0.2555
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0078 0.0078
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.2318 0.2318
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0019 0.0105 0.1139
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.1195 0.3562
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Plasmodium vivax importin-beta 2, putative 0.0028 0.0371 1
Schistosoma mansoni thyroid hormone receptor 0.0141 0.3693 0.3693
Brugia malayi Importin beta-1 subunit 0.0028 0.0371 0.1106
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0315 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0152 0.2536
Loa Loa (eye worm) hypothetical protein 0.0049 0.0994 0.1184
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Echinococcus granulosus serine protein kinase ATM 0.0026 0.0315 0.0315
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0994 0.1184
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0105 0.0125
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0019 0.0106 0.1185
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0371 0.0371
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0152 0.3134
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.0315 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0989 0.1179
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0078 0.5
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0019 0.0105 0.0921
Entamoeba histolytica Ran family GTPase 0.0021 0.0152 0.3134
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0019 0.0105 0.0921
Schistosoma mansoni cellular tumor antigen P53 0.005 0.1005 0.1005
Leishmania major importin beta-1 subunit, putative 0.0023 0.0214 1
Schistosoma mansoni eyes absent homolog 0.0088 0.2143 0.2143
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0019 0.0105 0.0105
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0152 0.2536
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0214 0.5751
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0105 0.0313
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0105 0.0313
Leishmania major GTP-binding protein, putative 0.0021 0.0152 0.5449
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0198 0.5371 0.5371
Schistosoma mansoni hypothetical protein 0.0355 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.2318 0.6911
Loa Loa (eye worm) hypothetical protein 0.0028 0.0371 0.0442
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.1195 0.1195
Echinococcus multilocularis serine protein kinase ATM 0.0026 0.0315 0.0315
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0214 0.5751
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.03 0.8391 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.2318 0.2318
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Entamoeba histolytica hypothetical protein 0.0026 0.0315 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0019 0.0105 0.0105
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.2318 0.2318
Loa Loa (eye worm) hypothetical protein 0.0023 0.0207 0.0247
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0019 0.0105 0.0105
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0078 0.5
Plasmodium falciparum importin beta, putative 0.0028 0.0371 1
Schistosoma mansoni importin beta-1 0.0028 0.0371 0.0371
Schistosoma mansoni hypothetical protein 0.03 0.8391 0.8391
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Echinococcus multilocularis thyroid hormone receptor alpha 0.0141 0.3693 0.3693
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0019 0.0105 0.0105
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0026 0.0315 0.8091
Onchocerca volvulus Huntingtin homolog 0.0129 0.3354 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0019 0.0105 0.0105
Entamoeba histolytica hypothetical protein 0.0023 0.0214 0.5751
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.2318 0.2318
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0026 0.0315 0.0315
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0152 0.0152
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0371 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.1195 0.1195
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0214 0.5751
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0994 0.0994
Schistosoma mansoni hypothetical protein 0.013 0.3384 0.3384
Onchocerca volvulus 0.005 0.1005 0.0046
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Leishmania major phosphatidylinositol kinase related protein, putative 0.0019 0.0106 0.206
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0019 0.0105 0.0921
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0152 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0019 0.0105 0.198
Onchocerca volvulus Huntingtin homolog 0.0129 0.3354 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0198 0.5371 0.5371
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.2318 0.2318
Loa Loa (eye worm) hypothetical protein 0.0129 0.3354 0.3997
Echinococcus multilocularis geminin 0.0355 1 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0019 0.0105 0.198
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0989 0.1179
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0019 0.0105 0.198
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0994 0.0994
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0994 0.0994
Schistosoma mansoni hypothetical protein 0.0034 0.0531 0.0531
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0152 0.0181
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0105 0.0125
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Loa Loa (eye worm) hypothetical protein 0.0088 0.2143 0.2555
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0019 0.0105 0.0921
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0078 0.0232
Schistosoma mansoni thyroid hormone receptor 0.0141 0.3693 0.3693
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0078 0.0078
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0994 0.0994
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0019 0.0105 0.1139
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Toxoplasma gondii FATC domain-containing protein 0.0026 0.0315 0.8091
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0531 0.1584
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0152 0.0454
Brugia malayi mbt repeat family protein 0.0049 0.0994 0.2963
Schistosoma mansoni hypothetical protein 0.0303 0.8475 0.8475
Schistosoma mansoni hypothetical protein 0.0355 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0078 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0019 0.0105 0.1139
Loa Loa (eye worm) hypothetical protein 0.0129 0.3354 0.3997
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Loa Loa (eye worm) MBCTL1 0.0056 0.1195 0.1424
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0078 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.2318 0.2318
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0371 1
Brugia malayi RNA, U transporter 1 0.008 0.1899 0.5663
Echinococcus multilocularis tumor protein p63 0.0339 0.9534 0.9534
Loa Loa (eye worm) hypothetical protein 0.0056 0.1195 0.1424
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.013 0.3384 0.3384
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0152 0.0152
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0994 0.0994
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0214 0.5751
Trypanosoma cruzi target of rapamycin kinase 3 0.0019 0.0105 0.1139
Loa Loa (eye worm) hypothetical protein 0.005 0.1005 0.1197
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0019 0.0105 0.1139
Giardia lamblia GTOR 0.0019 0.0105 0.3633
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.2318 0.2763
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0989 0.2949
Echinococcus granulosus tumor protein p63 0.0339 0.9534 0.9534
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Loa Loa (eye worm) hypothetical protein 0.0034 0.0531 0.0633
Trichomonas vaginalis ran, putative 0.0021 0.0152 0.3134
Echinococcus granulosus importin subunit beta 1 0.0028 0.0371 0.0371
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0994 0.0994
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.1195 0.1195
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.013 0.3384 0.3384
Schistosoma mansoni ap endonuclease 0.0018 0.0078 0.0078
Echinococcus multilocularis snurportin 1 0.03 0.8391 0.8391
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0152 0.2536
Brugia malayi mbt repeat family protein 0.0049 0.0994 0.2963
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0152 0.2536
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0026 0.0315 0.0939
Schistosoma mansoni ap endonuclease 0.0018 0.0078 0.0078
Leishmania major phosphatidylinositol 3-kinase, putative 0.0019 0.0105 0.198
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0105 0.1139
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.2318 0.2318

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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