Detailed information for compound 1635401

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 2787.31 | Formula: C87H122Cl6N3O64P11
  • H donors: 16 H acceptors: 30 LogP: -6.22 Rotable bonds: 66
    Rule of 5 violations (Lipinski): 4
  • SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O[C@H]1CCO[C@@H]1COP(=O)(O[C@H]1CCO[C@@H]1COP(=O)(O[C@H]1CCO[C@@H]1COP(=O)(O[C@H]1CCO[C@@H]1COP(=O)(O[C@H]1CCO[C@@H]1COP(=O)(O[C@H]1CCO[C@@H]1COP(=O)(O[C@H]1CCO[C@@H]1COP(=O)(O[C@H]1CCO[C@@H]1COP(=O)(O[C@H]1CCO[C@@H]1COP(=O)(O[C@H]1CCO[C@@H]1COP(=O)(OCCCCCCNC(=O)c1cc(Cl)c(c(c1Cl)c1c2cc(Cl)c(c(c2oc2c1cc(Cl)c(=O)c2Cl)Cl)O)C(=O)O)O)O)O)O)O)O)O)O)O)O)O)n1cc(C)c(=O)[nH]c1=O
  • InChi: 1S/C87H122Cl6N3O64P11/c1-44-32-96(87(104)95-84(44)100)73-31-51(97)62(149-73)33-139-162(107,108)151-53-7-19-128-64(53)35-141-164(111,112)153-55-9-21-130-66(55)37-143-166(115,116)155-57-11-23-132-68(57)39-145-168(119,120)157-59-13-25-134-70(59)41-147-170(123,124)159-61-15-27-136-72(61)43-148-171(125,126)160-60-14-26-135-71(60)42-146-169(121,122)158-58-12-24-133-69(58)40-144-167(117,118)156-56-10-22-131-67(56)38-142-165(113,114)154-54-8-20-129-65(54)36-140-163(109,110)152-52-6-18-127-63(52)34-138-161(105,106)137-17-5-3-2-4-16-94-85(101)47-30-48(88)75(86(102)103)76(77(47)91)74-45-28-49(89)80(98)78(92)82(45)150-83-46(74)29-50(90)81(99)79(83)93/h28-30,32,51-73,97-98H,2-27,31,33-43H2,1H3,(H,94,101)(H,102,103)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,95,100,104)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+/m0/s1
  • InChiKey: DJDGCZWYIRZQHQ-BQXVJLNVSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Integrase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
Trypanosoma brucei RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
Plasmodium yoelii integrase-related Get druggable targets OG5_139608 All targets in OG5_139608
Schistosoma mansoni hypothetical protein Get druggable targets OG5_139608 All targets in OG5_139608
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 3-kinase vps34-like 0.0352 0.0577 0.0534
Trichomonas vaginalis PIKK family atypical protein kinase 0.4342 0.7939 0.7939
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1033 0.1832 0.1795
Leishmania major hypothetical protein, conserved 0.0352 0.0577 0.0454
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1033 0.1832 0.1826
Giardia lamblia Hypothetical protein 0.0352 0.0577 0.0534
Echinococcus multilocularis fk506 binding protein 0.0109 0.0128 0.0121
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0352 0.0577 0.057
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0352 0.0577 0.057
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0094 0.0101 0.0093
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0352 0.0577 0.0534
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0151 0.0205 0.0198
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0064 0.0046 0.0038
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.4347 0.7947 0.7921
Entamoeba histolytica protein kinase, putative 0.0097 0.0106 0.006
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0352 0.0577 0.057
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.546 1 1
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0352 0.0577 0.057
Trichomonas vaginalis immunophilin, putative 0.0109 0.0128 0.0128
Schistosoma mansoni serine/threonine-protein kinase 0.0071 0.0058 0.005
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0352 0.0577 0.0577
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.546 1 1
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0352 0.0577 0.0577
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0352 0.0577 0.0577
Trichomonas vaginalis PIKK family atypical protein kinase 0.1831 0.3305 0.3305
Trichomonas vaginalis PIKK family atypical protein kinase 0.3262 0.5946 0.5946
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0151 0.0205 0.0198
Trichomonas vaginalis PIKK family atypical protein kinase 0.4342 0.7939 0.7939
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0352 0.0577 0.057
Trichomonas vaginalis PIKK family atypical protein kinase 0.1831 0.3305 0.3305
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1831 0.3305 0.33
Trypanosoma cruzi Protein kinase B 0.0071 0.0058 0.0012
Loa Loa (eye worm) phosphatidylinositol 3 0.0352 0.0577 0.057
Loa Loa (eye worm) FKBP5 protein 0.0109 0.0128 0.0121
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1831 0.3305 0.33
Trichomonas vaginalis PIKK family atypical protein kinase 0.0352 0.0577 0.0577
Trichomonas vaginalis AGC family protein kinase 0.0103 0.0117 0.0117
Entamoeba histolytica hypothetical protein 0.0352 0.0577 0.0534
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0352 0.0577 0.0644
Entamoeba histolytica PH domain containing protein kinase, putative 0.0071 0.0058 0.0012
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1831 0.3305 0.3274
Trichomonas vaginalis PIKK family atypical protein kinase 0.3544 0.6466 0.6466
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0151 0.0205 0.0198
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0352 0.0577 0.057
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0109 0.0128 0.0121
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0352 0.0577 0.057
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0071 0.0058 0.0012
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.546 1 1
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0109 0.0128 0.0121
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0352 0.0577 0.0577
Loa Loa (eye worm) phosphatidylinositol 3 0.1831 0.3305 0.33
Brugia malayi Protein kinase domain containing protein 0.0103 0.0117 0.011
Trichomonas vaginalis PIKK family atypical protein kinase 0.546 1 1
Echinococcus granulosus serine/threonine protein kinase 0.0071 0.0058 0.005
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0352 0.0577 0.057
Trichomonas vaginalis AGC family protein kinase 0.0103 0.0117 0.0117
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0109 0.0128 0.0128
Trichomonas vaginalis PIKK family atypical protein kinase 0.4342 0.7939 0.7939
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2582 0.4691 0.4628
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0352 0.0577 0.0577
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.546 1 1
Loa Loa (eye worm) hypothetical protein 0.0352 0.0577 0.057
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0352 0.0577 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0352 0.0577 0.057
Schistosoma mansoni fkbp-rapamycin associated protein 0.1033 0.1832 0.1826
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0352 0.0577 0.057
Leishmania major phosphatidylinositol 4-kinase, putative 0.0352 0.0577 0.0454
Trichomonas vaginalis PIKK family atypical protein kinase 0.2948 0.5366 0.5366
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0352 0.0577 0.0577
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0064 0.0046 0.0038
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0352 0.0577 0.057
Loa Loa (eye worm) hypothetical protein 0.1033 0.1832 0.1826
Echinococcus multilocularis rac serine:threonine kinase 0.0071 0.0058 0.005
Trichomonas vaginalis PIKK family atypical protein kinase 0.1831 0.3305 0.3305
Trichomonas vaginalis fk506-binding protein, putative 0.0109 0.0128 0.0128
Loa Loa (eye worm) phosphatidylinositol 3 0.0352 0.0577 0.057
Trypanosoma brucei RNA helicase, putative 0.0125 0.0158 0.0041
Onchocerca volvulus 0.0352 0.0577 0.5
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1033 0.1832 0.1735
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0352 0.0577 0.0577
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0352 0.0577 0.0534
Trichomonas vaginalis PIKK family atypical protein kinase 0.1033 0.1832 0.1832
Trichomonas vaginalis PIKK family atypical protein kinase 0.4061 0.7419 0.7419
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1831 0.3305 0.3226
Entamoeba histolytica hypothetical protein 0.1033 0.1832 0.1795
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0352 0.0577 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2948 0.5366 0.5366
Trichomonas vaginalis PIKK family atypical protein kinase 0.4342 0.7939 0.7939
Loa Loa (eye worm) hypothetical protein 0.0131 0.0168 0.0161
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0352 0.0577 0.0534
Trichomonas vaginalis PIKK family atypical protein kinase 0.2943 0.5358 0.5358
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0352 0.0577 1
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0798 0.14 0.1393
Echinococcus multilocularis serine protein kinase ATM 0.1033 0.1832 0.1826
Giardia lamblia Phosphatidylinositol 4-kinase 0.0352 0.0577 0.0534
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0109 0.0128 0.5
Trichomonas vaginalis AGC family protein kinase 0.0103 0.0117 0.0117
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0352 0.0577 0.057
Plasmodium vivax hypothetical protein 0.0352 0.0577 1
Schistosoma mansoni immunophilin 0.0109 0.0128 0.0121
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0109 0.0128 0.0121
Echinococcus granulosus nervana 2 0.0064 0.0044 0.0037
Trichomonas vaginalis PIKK family atypical protein kinase 0.4061 0.7419 0.7419
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0352 0.0577 0.0534
Schistosoma mansoni immunophilin 0.0094 0.0101 0.0093
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0352 0.0577 0.057
Trichomonas vaginalis PIKK family atypical protein kinase 0.4061 0.7419 0.7419
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0352 0.0577 0.057
Trichomonas vaginalis PIKK family atypical protein kinase 0.4061 0.7419 0.7419
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0352 0.0577 0.0534
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0352 0.0577 0.057
Loa Loa (eye worm) hypothetical protein 0.0352 0.0577 0.057
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0109 0.0128 0.0083
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0352 0.0577 0.057
Mycobacterium tuberculosis Conserved hypothetical protein 0.0352 0.0577 0.5
Entamoeba histolytica protein kinase, putative 0.0103 0.0117 0.0072
Trichomonas vaginalis AGC family protein kinase 0.0103 0.0117 0.0117
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0352 0.0577 0.0534
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0352 0.0577 0.0577
Loa Loa (eye worm) hypothetical protein 0.1151 0.205 0.2044
Giardia lamblia GTOR 0.546 1 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0109 0.0128 0.0083
Trichomonas vaginalis PIKK family atypical protein kinase 0.1033 0.1832 0.1832
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0352 0.0577 0.0534
Mycobacterium leprae conserved hypothetical protein 0.0352 0.0577 0.5
Leishmania major hypothetical protein, unknown function 0.0352 0.0577 0.0454
Schistosoma mansoni hypothetical protein 0.0798 0.14 0.1393
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0352 0.0577 1
Echinococcus multilocularis Glutaredoxin protein 5 0.0064 0.0044 0.0037
Trichomonas vaginalis conserved hypothetical protein 0.1151 0.205 0.205
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.546 1 1
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0109 0.0128 0.0011
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0352 0.0577 0.0534
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0141 0.0187 0.0187
Trichomonas vaginalis PIKK family atypical protein kinase 0.4061 0.7419 0.7419
Trichomonas vaginalis PIKK family atypical protein kinase 0.3662 0.6684 0.6684
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0352 0.0577 0.0534
Brugia malayi FAT domain containing protein 0.0798 0.14 0.1393
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0352 0.0577 0.057
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0109 0.0128 0.0083
Loa Loa (eye worm) hypothetical protein 0.0094 0.0101 0.0093
Echinococcus multilocularis 0.0352 0.0577 0.057
Trichomonas vaginalis AGC family protein kinase 0.0103 0.0117 0.0117
Loa Loa (eye worm) phosphatidylinositol 3 0.0352 0.0577 0.057
Leishmania major phosphatidylinositol kinase related protein, putative 0.0352 0.0577 0.0454
Trichomonas vaginalis PIKK family atypical protein kinase 0.546 1 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.4061 0.7419 1
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0352 0.0577 0.0534
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0109 0.0128 0.1554
Trichomonas vaginalis PIKK family atypical protein kinase 0.2948 0.5366 0.5366
Entamoeba histolytica hypothetical protein 0.0352 0.0577 0.0534
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1033 0.1832 0.1826
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0109 0.0128 0.5
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0352 0.0577 0.0534
Entamoeba histolytica hypothetical protein 0.0352 0.0577 0.0534
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0352 0.0577 0.0534
Trichomonas vaginalis PIKK family atypical protein kinase 0.2943 0.5358 0.5358
Trichomonas vaginalis PIKK family atypical protein kinase 0.323 0.5886 0.5886
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0109 0.0128 0.0083
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0352 0.0577 0.0465
Loa Loa (eye worm) phosphatidylinositol 3 0.0352 0.0577 0.057
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0352 0.0577 0.057
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0352 0.0577 1
Loa Loa (eye worm) hypothetical protein 0.068 0.1182 0.1176
Trichomonas vaginalis PIKK family atypical protein kinase 0.3262 0.5946 0.5946
Loa Loa (eye worm) hypothetical protein 0.0798 0.14 0.1393
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1151 0.205 0.2658
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0094 0.0101 0.0093
Schistosoma mansoni hypothetical protein 0.0352 0.0577 0.057
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0151 0.0205 0.0198
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0352 0.0577 0.057
Schistosoma mansoni serine/threonine-protein kinase 0.0071 0.0058 0.005
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0109 0.0128 0.0121
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0109 0.0128 0.0121
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1033 0.1832 0.1795
Trichomonas vaginalis AGC family protein kinase 0.0103 0.0117 0.0117
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1831 0.3305 0.33
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1831 0.3305 0.3274
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0109 0.0128 0.0083
Entamoeba histolytica protein kinase rad3, putative 0.1033 0.1832 0.1795
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0352 0.0577 0.0534
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1831 0.3305 0.33
Echinococcus granulosus serine protein kinase ATM 0.1033 0.1832 0.1826
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0109 0.0128 0.0011
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.546 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0798 0.14 0.14
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0352 0.0577 0.0465
Echinococcus granulosus serine threonine protein kinase nrc 0.0064 0.0046 0.0038
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0109 0.0128 0.1554
Echinococcus granulosus nervana 2 0.0064 0.0044 0.0037
Trichomonas vaginalis PIKK family atypical protein kinase 0.323 0.5886 0.5886
Trichomonas vaginalis PIKK family atypical protein kinase 0.1465 0.263 0.263
Echinococcus multilocularis Zinc finger, PHD finger 0.0352 0.0577 0.057
Schistosoma mansoni voltage-gated potassium channel 0.0165 0.0231 0.0223
Trichomonas vaginalis PIKK family atypical protein kinase 0.068 0.1182 0.1182
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0352 0.0577 0.0534
Loa Loa (eye worm) hypothetical protein 0.1113 0.198 0.1974
Entamoeba histolytica protein kinase, putative 0.0103 0.0117 0.0072
Trichomonas vaginalis PIKK family atypical protein kinase 0.1033 0.1832 0.1832
Echinococcus multilocularis nervana 2 0.0064 0.0044 0.0037
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0352 0.0577 0.057
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0352 0.0577 0.0644
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0352 0.0577 0.057
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0352 0.0577 0.0534
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0109 0.0128 0.0128
Trichomonas vaginalis PIKK family atypical protein kinase 0.4661 0.8527 0.8527
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0352 0.0577 0.0577
Leishmania major phosphatidylinositol 3-kinase, putative 0.1831 0.3305 0.3218
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.546 1 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0352 0.0577 0.0577
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0352 0.0577 0.057
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0352 0.0577 0.057
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0352 0.0577 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.4061 0.7419 0.7419
Trichomonas vaginalis PIKK family atypical protein kinase 0.2948 0.5366 0.5366
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0352 0.0577 0.0577
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1033 0.1832 0.1826
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0352 0.0577 0.0534
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0352 0.0577 0.057
Trichomonas vaginalis PIKK family atypical protein kinase 0.4342 0.7939 0.7939
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0798 0.14 0.1393
Schistosoma mansoni voltage-gated potassium channel 0.0165 0.0231 0.0223
Onchocerca volvulus 0.0352 0.0577 0.5
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0352 0.0577 0.057
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0109 0.0128 0.0083
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0141 0.0187 0.0187
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0352 0.0577 0.0644
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0064 0.0044 0.0037
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0352 0.0577 0.0644
Leishmania major phosphatidylinositol kinase, putative 0.0352 0.0577 0.0454
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1033 0.1832 0.1826
Trichomonas vaginalis PIKK family atypical protein kinase 0.1831 0.3305 0.3305
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0352 0.0577 0.0534
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0064 0.0044 0.0037
Entamoeba histolytica hypothetical protein 0.0352 0.0577 0.0534
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0352 0.0577 1
Echinococcus granulosus Glutaredoxin protein 5 0.0064 0.0044 0.0037
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.546 1 1
Loa Loa (eye worm) AGC/AKT protein kinase 0.0103 0.0117 0.011
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0352 0.0577 0.0644
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1831 0.3305 0.3226
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2268 0.4111 0.4041
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0352 0.0577 0.0454
Entamoeba histolytica PH domain containing protein kinase, putative 0.0071 0.0058 0.0012
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0352 0.0577 0.057
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.546 1 1
Echinococcus multilocularis nervana 2 0.0064 0.0044 0.0037
Loa Loa (eye worm) phosphatidylinositol kinase 0.0352 0.0577 0.057
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0352 0.0577 0.0577
Loa Loa (eye worm) phosphatidylinositol 3 0.546 1 1
Schistosoma mansoni immunophilin 0.0109 0.0128 0.0121
Trichomonas vaginalis PIKK family atypical protein kinase 0.1831 0.3305 0.3305
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.068 0.1182 0.1142
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0352 0.0577 0.0534
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0109 0.0128 0.0083
Trichomonas vaginalis PIKK family atypical protein kinase 0.2943 0.5358 0.5358
Trichomonas vaginalis PIKK family atypical protein kinase 0.3262 0.5946 0.5946
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0352 0.0577 0.057
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1831 0.3305 0.3218
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0352 0.0577 0.0577
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1033 0.1832 0.1795
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.546 1 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0352 0.0577 0.0454
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0352 0.0577 0.057
Toxoplasma gondii FATC domain-containing protein 0.1033 0.1832 0.2361
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0352 0.0577 0.0465
Trichomonas vaginalis conserved hypothetical protein 0.068 0.1182 0.1182
Trypanosoma cruzi target of rapamycin kinase 3 0.4347 0.7947 0.7938
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0109 0.0128 0.0121
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0109 0.0128 0.0121
Trichomonas vaginalis PIKK family atypical protein kinase 0.546 1 1
Schistosoma mansoni hypothetical protein 0.0125 0.0158 0.015
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.546 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0352 0.0577 0.057
Trichomonas vaginalis PIKK family atypical protein kinase 0.0352 0.0577 0.0577
Plasmodium vivax hypothetical protein, conserved 0.0352 0.0577 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0352 0.0577 0.0465
Trichomonas vaginalis AGC family protein kinase 0.0103 0.0117 0.0117
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0352 0.0577 0.057
Trichomonas vaginalis PIKK family atypical protein kinase 0.4061 0.7419 0.7419
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1033 0.1832 0.1826
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0097 0.0106 0.0098
Brugia malayi p70 ribosomal S6 kinase beta 0.0097 0.0106 0.0098
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0352 0.0577 0.0534
Trypanosoma brucei target of rapamycin kinase 3, putative 0.4347 0.7947 0.7923
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0109 0.0128 0.0083

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1200 nM Inhibition of Human immunodeficiency virus 1 integrase 3'-processing activity expressed in Escherichia coli using 21-mer DNA and Mg2+ after 2 hrs by polyacrylamide gel electrophoresis ChEMBL. 24900345

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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