Detailed information for compound 1638488

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 4034.78 | Formula: C142H171N36O82P11
  • H donors: 31 H acceptors: 52 LogP: -19.77 Rotable bonds: 78
    Rule of 5 violations (Lipinski): 4
  • SMILES: OC[C@@H]1C[C@H](CN1C(=O)CCCCCNC(=O)c1ccc(c(c1)c1c2ccc(=O)cc2oc2c1ccc(c2)O)C(=O)O)OP(=O)(OC[C@H]1O[C@H](C[C@@H]1OP(=O)(OC[C@H]1O[C@H](C[C@@H]1OP(=O)(OC[C@H]1O[C@H](C[C@@H]1OP(=O)(OC[C@H]1O[C@H](C[C@@H]1OP(=O)(OC[C@H]1O[C@H](C[C@@H]1OP(=O)(OC[C@H]1O[C@H](C[C@@H]1OP(=O)(OC[C@H]1O[C@H](C[C@@H]1OP(=O)(OC[C@H]1O[C@H](C[C@@H]1OP(=O)(OC[C@H]1O[C@H](C[C@@H]1OP(=O)(OC[C@H]1O[C@H](C[C@@H]1OP(=O)(OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1cnc2c1nc(N)[nH]c2=O)O
  • InChi: 1S/C142H171N36O82P11/c1-58-34-168(136(198)160-119(58)184)99-23-74(182)87(239-99)43-227-262(207,208)257-84-31-107(176-55-149-112-116(176)153-133(144)157-128(112)193)247-95(84)51-235-267(217,218)256-82-29-105(174-40-64(7)125(190)166-142(174)204)245-93(82)50-234-269(221,222)259-85-32-108(177-56-150-113-117(177)154-134(145)158-129(113)194)248-96(85)52-236-268(219,220)255-81-28-104(173-39-63(6)124(189)165-141(173)203)243-91(81)48-232-265(213,214)253-79-26-102(171-37-61(4)122(187)163-139(171)201)241-89(79)46-230-263(209,210)251-77-24-100(169-35-59(2)120(185)161-137(169)199)240-88(77)45-229-264(211,212)252-78-25-101(170-36-60(3)121(186)162-138(170)200)242-90(78)47-231-266(215,216)254-80-27-103(172-38-62(5)123(188)164-140(172)202)244-92(80)49-233-270(223,224)260-86-33-109(178-57-151-114-118(178)155-135(146)159-130(114)195)249-97(86)53-237-271(225,226)258-83-30-106(175-54-148-111-115(175)152-132(143)156-127(111)192)246-94(83)44-228-261(205,206)250-69-20-66(42-179)167(41-69)98(183)11-9-8-10-18-147-126(191)65-12-15-70(131(196)197)73(19-65)110-71-16-13-67(180)21-75(71)238-76-22-68(181)14-17-72(76)110/h12-17,19,21-22,34-40,54-57,66,69,74,77-97,99-109,179-180,182H,8-11,18,20,23-33,41-53H2,1-7H3,(H,147,191)(H,196,197)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,223,224)(H,225,226)(H,160,184,198)(H,161,185,199)(H,162,186,200)(H,163,187,201)(H,164,188,202)(H,165,189,203)(H,166,190,204)(H3,143,152,156,192)(H3,144,153,157,193)(H3,145,154,158,194)(H3,146,155,159,195)/t66-,69+,74-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+/m0/s1
  • InChiKey: YIXSVQYKKJOPJS-XKODXJPGSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 brucei RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
Trypanosoma congolense 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
Trichomonas vaginalis PIKK family atypical protein kinase 0.5062 1 1
Echinococcus multilocularis nervana 2 0.0041 0.0031 0.0016
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0327 0.0598 1
Mycobacterium leprae conserved hypothetical protein 0.0327 0.0598 0.5
Echinococcus multilocularis nervana 2 0.0041 0.0031 0.0016
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0327 0.0598 0.053
Trichomonas vaginalis PIKK family atypical protein kinase 0.1698 0.332 0.332
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0327 0.0598 0.0569
Echinococcus multilocularis serine protein kinase ATM 0.0957 0.1851 0.1838
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0327 0.0598 0.0569
Echinococcus multilocularis Glutaredoxin protein 5 0.0041 0.0031 0.0016
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0327 0.0598 0.0584
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0113 0.0175 0.016
Brugia malayi Protein kinase domain containing protein 0.0066 0.0081 0.0066
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0327 0.0598 0.0569
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0327 0.0598 0.0569
Schistosoma mansoni hypothetical protein 0.0125 0.0198 0.0183
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0062 0.0073 0.0041
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0327 0.0598 0.0584
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0631 0.1202 0.1174
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1698 0.332 0.331
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0062 0.0073 0.0041
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.5062 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0327 0.0598 0.0598
Loa Loa (eye worm) phosphatidylinositol kinase 0.0327 0.0598 0.0584
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0041 0.0031 0.0016
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.5062 1 1
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0327 0.0598 0.0584
Schistosoma mansoni serine/threonine-protein kinase 0.0045 0.004 0.0025
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2103 0.4124 0.4081
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0327 0.0598 0.0584
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1698 0.332 0.331
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0327 0.0598 0.0584
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0062 0.0073 0.0058
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0062 0.0073 0.0726
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0081 0.0081
Trypanosoma cruzi target of rapamycin kinase 3 0.4031 0.7952 0.7945
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0327 0.0598 0.0584
Trichomonas vaginalis PIKK family atypical protein kinase 0.0631 0.1202 0.1202
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0957 0.1851 0.1838
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.5062 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0327 0.0598 0.0598
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0327 0.0598 0.0584
Schistosoma mansoni fkbp-rapamycin associated protein 0.0957 0.1851 0.1838
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0327 0.0598 0.0584
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1698 0.332 0.3299
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0327 0.0598 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3025 0.5955 0.5955
Trichomonas vaginalis PIKK family atypical protein kinase 0.2729 0.5368 0.5368
Loa Loa (eye worm) AGC/AKT protein kinase 0.0066 0.0081 0.0066
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.4031 0.7952 0.7937
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0327 0.0598 0.0569
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0053 0.0056 0.0041
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0062 0.0073 0.0058
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0957 0.1851 0.1825
Toxoplasma gondii target of rapamycin (TOR), putative 0.3765 0.7425 1
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0327 0.0598 0.0584
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0062 0.0073 0.0073
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0327 0.0598 0.0715
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0327 0.0598 0.0584
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0327 0.0598 0.0598
Onchocerca volvulus 0.0327 0.0598 0.5
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.5062 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0106 0.016 0.016
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.5062 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3025 0.5955 0.5955
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.074 0.1419 0.1406
Loa Loa (eye worm) hypothetical protein 0.0631 0.1202 0.1189
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0327 0.0598 0.0584
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0327 0.0598 0.0569
Loa Loa (eye worm) phosphatidylinositol 3 0.0327 0.0598 0.0584
Trichomonas vaginalis PIKK family atypical protein kinase 0.2995 0.5896 0.5896
Entamoeba histolytica protein kinase, putative 0.0066 0.0081 0.0049
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0327 0.0598 0.0715
Trichomonas vaginalis PIKK family atypical protein kinase 0.2729 0.5368 0.5368
Leishmania major phosphatidylinositol kinase, putative 0.0327 0.0598 0.053
Entamoeba histolytica hypothetical protein 0.0327 0.0598 0.0569
Entamoeba histolytica hypothetical protein 0.0327 0.0598 0.0569
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0081 0.0081
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0957 0.1851 0.1838
Giardia lamblia Hypothetical protein 0.0327 0.0598 0.0569
Trichomonas vaginalis PIKK family atypical protein kinase 0.2734 0.5377 0.5377
Leishmania major hypothetical protein, conserved 0.0327 0.0598 0.053
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0062 0.0073 0.0073
Trichomonas vaginalis PIKK family atypical protein kinase 0.3765 0.7425 0.7425
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.5062 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0327 0.0598 0.0569
Loa Loa (eye worm) phosphatidylinositol 3 0.0327 0.0598 0.0584
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0062 0.0073 0.0726
Giardia lamblia Phosphatidylinositol 4-kinase 0.0327 0.0598 0.0569
Schistosoma mansoni immunophilin 0.0053 0.0056 0.0041
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0062 0.0073 0.5
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0327 0.0598 0.0584
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0327 0.0598 0.0569
Trichomonas vaginalis conserved hypothetical protein 0.074 0.1419 0.1419
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.5062 1 1
Entamoeba histolytica protein kinase, putative 0.0062 0.0073 0.0041
Echinococcus granulosus serine protein kinase ATM 0.0957 0.1851 0.1838
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1698 0.332 0.3299
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0327 0.0598 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0957 0.1851 0.1825
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0062 0.0073 0.0041
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1698 0.332 0.3271
Trichomonas vaginalis PIKK family atypical protein kinase 0.1698 0.332 0.332
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0062 0.0073 0.0058
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0957 0.1851 0.1838
Loa Loa (eye worm) FKBP5 protein 0.0062 0.0073 0.0058
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0062 0.0073 0.0058
Echinococcus granulosus serine/threonine protein kinase 0.0045 0.004 0.0025
Trichomonas vaginalis PIKK family atypical protein kinase 0.0327 0.0598 0.0598
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0113 0.0175 0.016
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0327 0.0598 1
Trypanosoma cruzi Protein kinase B 0.0045 0.004 0.0008
Loa Loa (eye worm) hypothetical protein 0.1067 0.2068 0.2056
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0327 0.0598 0.0598
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0041 0.0031 0.0016
Toxoplasma gondii FATC domain-containing protein 0.0957 0.1851 0.2418
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0062 0.0073 0.0041
Loa Loa (eye worm) hypothetical protein 0.1032 0.1998 0.1986
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0327 0.0598 0.0598
Trichomonas vaginalis conserved hypothetical protein 0.0631 0.1202 0.1202
Trypanosoma brucei RNA helicase, putative 0.0125 0.0198 0.0126
Echinococcus multilocularis Zinc finger, PHD finger 0.0327 0.0598 0.0584
Trichomonas vaginalis PIKK family atypical protein kinase 0.1358 0.2646 0.2646
Trichomonas vaginalis PIKK family atypical protein kinase 0.2995 0.5896 0.5896
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0081 0.0081
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0041 0.0031 0.0016
Trichomonas vaginalis PIKK family atypical protein kinase 0.4027 0.7944 0.7944
Loa Loa (eye worm) hypothetical protein 0.074 0.1419 0.1406
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0327 0.0598 0.0584
Leishmania major phosphatidylinositol kinase related protein, putative 0.0327 0.0598 0.053
Trichomonas vaginalis PIKK family atypical protein kinase 0.0957 0.1851 0.1851
Trichomonas vaginalis PIKK family atypical protein kinase 0.3765 0.7425 0.7425
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0327 0.0598 0.0598
Trichomonas vaginalis PIKK family atypical protein kinase 0.2734 0.5377 0.5377
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0327 0.0598 0.0569
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0327 0.0598 0.0598
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0327 0.0598 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0327 0.0598 0.0598
Trichomonas vaginalis PIKK family atypical protein kinase 0.5062 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1698 0.332 0.332
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0327 0.0598 0.0584
Trichomonas vaginalis PIKK family atypical protein kinase 0.4322 0.853 0.853
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0327 0.0598 0.0569
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0081 0.0081
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0327 0.0598 0.0584
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0327 0.0598 0.0584
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0327 0.0598 0.0569
Trichomonas vaginalis PIKK family atypical protein kinase 0.2729 0.5368 0.5368
Entamoeba histolytica hypothetical protein 0.0327 0.0598 0.0569
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0106 0.016 0.016
Trichomonas vaginalis PIKK family atypical protein kinase 0.4027 0.7944 0.7944
Trichomonas vaginalis PIKK family atypical protein kinase 0.2734 0.5377 0.5377
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0327 0.0598 1
Entamoeba histolytica hypothetical protein 0.0957 0.1851 0.1825
Loa Loa (eye worm) phosphatidylinositol 3 0.1698 0.332 0.331
Trichomonas vaginalis PIKK family atypical protein kinase 0.3765 0.7425 0.7425
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0957 0.1851 0.1791
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0327 0.0598 0.0598
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0327 0.0598 0.0584
Entamoeba histolytica protein kinase rad3, putative 0.0957 0.1851 0.1825
Onchocerca volvulus 0.0327 0.0598 0.5
Loa Loa (eye worm) hypothetical protein 0.0098 0.0145 0.013
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0327 0.0598 0.0584
Echinococcus multilocularis fk506 binding protein 0.0062 0.0073 0.0058
Echinococcus granulosus nervana 2 0.0041 0.0031 0.0016
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0081 0.0081
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0062 0.0073 0.0058
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0327 0.0598 0.0584
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0327 0.0598 0.0715
Trichomonas vaginalis fk506-binding protein, putative 0.0062 0.0073 0.0073
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0081 0.0081
Echinococcus multilocularis 0.0327 0.0598 0.0584
Trichomonas vaginalis PIKK family atypical protein kinase 0.0957 0.1851 0.1851
Schistosoma mansoni hypothetical protein 0.074 0.1419 0.1406
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0081 0.0081
Giardia lamblia GTOR 0.5062 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1067 0.2068 0.2068
Schistosoma mansoni immunophilin 0.0062 0.0073 0.0058
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0327 0.0598 0.0569
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0327 0.0598 0.0584
Trichomonas vaginalis immunophilin, putative 0.0062 0.0073 0.0073
Entamoeba histolytica hypothetical protein 0.0327 0.0598 0.0569
Leishmania major hypothetical protein, unknown function 0.0327 0.0598 0.053
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0062 0.0073 0.5
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0327 0.0598 0.0715
Loa Loa (eye worm) hypothetical protein 0.0327 0.0598 0.0584
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0327 0.0598 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0327 0.0598 0.0584
Trichomonas vaginalis PIKK family atypical protein kinase 0.3765 0.7425 0.7425
Trichomonas vaginalis PIKK family atypical protein kinase 0.3765 0.7425 0.7425
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0327 0.0598 0.0569
Loa Loa (eye worm) hypothetical protein 0.0053 0.0056 0.0041
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0327 0.0598 0.053
Trichomonas vaginalis PIKK family atypical protein kinase 0.3765 0.7425 0.7425
Brugia malayi FAT domain containing protein 0.074 0.1419 0.1406
Trichomonas vaginalis PIKK family atypical protein kinase 0.3765 0.7425 0.7425
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0327 0.0598 0.0584
Trichomonas vaginalis PIKK family atypical protein kinase 0.3396 0.6691 0.6691
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0113 0.0175 0.016
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0327 0.0598 0.0569
Entamoeba histolytica protein kinase, putative 0.0066 0.0081 0.0049
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.5062 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1067 0.2068 0.2714
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0041 0.0031 0.0016
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0327 0.0598 0.0569
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.074 0.1419 0.1406
Mycobacterium tuberculosis Conserved hypothetical protein 0.0327 0.0598 0.5
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0327 0.0598 0.0584
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0327 0.0598 0.053
Loa Loa (eye worm) hypothetical protein 0.0957 0.1851 0.1838
Plasmodium vivax hypothetical protein 0.0327 0.0598 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0062 0.0073 0.0041
Trypanosoma brucei target of rapamycin kinase 3, putative 0.4031 0.7952 0.7937
Echinococcus granulosus nervana 2 0.0041 0.0031 0.0016
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0113 0.0175 0.016
Leishmania major phosphatidylinositol 4-kinase, putative 0.0327 0.0598 0.053
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0053 0.0056 0.0041
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0327 0.0598 0.0584
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0327 0.0598 0.0598
Trypanosoma brucei rac serine-threonine kinase, putative 0.0066 0.0081 0.0008
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0327 0.0598 0.0584
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0957 0.1851 0.1838
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0327 0.0598 0.0569
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0957 0.1851 0.1825
Trichomonas vaginalis PIKK family atypical protein kinase 0.4027 0.7944 0.7944
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0327 0.0598 0.053
Schistosoma mansoni immunophilin 0.0062 0.0073 0.0058
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0327 0.0598 0.0569
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1698 0.332 0.331
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0062 0.0073 0.0041
Loa Loa (eye worm) phosphatidylinositol 3 0.0327 0.0598 0.0584
Echinococcus granulosus Glutaredoxin protein 5 0.0041 0.0031 0.0016
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1698 0.332 0.3271
Leishmania major phosphatidylinositol 3-kinase, putative 0.1698 0.332 0.3271
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0327 0.0598 0.0569
Trichomonas vaginalis PIKK family atypical protein kinase 0.4027 0.7944 0.7944
Schistosoma mansoni voltage-gated potassium channel 0.0124 0.0195 0.0181
Trichomonas vaginalis PIKK family atypical protein kinase 0.3025 0.5955 0.5955
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1698 0.332 0.3271
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0327 0.0598 0.0598
Trichomonas vaginalis PIKK family atypical protein kinase 0.0327 0.0598 0.0598
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.5062 1 1
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0327 0.0598 0.0584
Entamoeba histolytica PH domain containing protein kinase, putative 0.0045 0.004 0.0008
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0062 0.0073 0.0041
Loa Loa (eye worm) phosphatidylinositol 3 0.5062 1 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0327 0.0598 0.053
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.5062 1 1
Brugia malayi p70 ribosomal S6 kinase beta 0.0062 0.0073 0.0058
Trichomonas vaginalis PIKK family atypical protein kinase 0.1698 0.332 0.332
Loa Loa (eye worm) phosphatidylinositol 3 0.0327 0.0598 0.0584
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0062 0.0073 0.0058
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.5062 1 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0045 0.004 0.0008
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0062 0.0073 0.0041
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0327 0.0598 0.0584
Schistosoma mansoni hypothetical protein 0.0327 0.0598 0.0584
Schistosoma mansoni voltage-gated potassium channel 0.0124 0.0195 0.0181
Trichomonas vaginalis PIKK family atypical protein kinase 0.3286 0.6474 0.6474
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1698 0.332 0.331
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0045 0.004 0.0008
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0327 0.0598 0.0584
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0327 0.0598 0.0569
Trichomonas vaginalis PIKK family atypical protein kinase 0.1698 0.332 0.332
Echinococcus multilocularis rac serine:threonine kinase 0.0045 0.004 0.0025
Trichomonas vaginalis PIKK family atypical protein kinase 0.0957 0.1851 0.1851
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0327 0.0598 0.053
Echinococcus granulosus serine threonine protein kinase nrc 0.0041 0.0031 0.0016
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0327 0.0598 0.0598
Trichomonas vaginalis PIKK family atypical protein kinase 0.2734 0.5377 0.5377
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0327 0.0598 0.0715
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0327 0.0598 0.0569
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0957 0.1851 0.1838
Loa Loa (eye worm) hypothetical protein 0.0327 0.0598 0.0584
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0327 0.0598 0.0598
Trichomonas vaginalis PIKK family atypical protein kinase 0.5062 1 1
Plasmodium vivax hypothetical protein, conserved 0.0327 0.0598 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2394 0.4703 0.4664
Loa Loa (eye worm) phosphatidylinositol 3 0.0327 0.0598 0.0584
Trichomonas vaginalis PIKK family atypical protein kinase 0.4027 0.7944 0.7944
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0062 0.0073 0.0058
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0062 0.0073 0.0058
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0327 0.0598 0.0584
Schistosoma mansoni serine/threonine-protein kinase 0.0045 0.004 0.0025

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 320 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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