Detailed information for compound 1641299

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 4316.53 | Formula: C137H161Br4N36O76P11S4
  • H donors: 28 H acceptors: 46 LogP: -11.99 Rotable bonds: 77
    Rule of 5 violations (Lipinski): 4
  • SMILES: 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]1OP(=O)(OCCCCCCNC(=S)Nc1ccc(c(c1)C(=O)O)c1c2cc(Br)c(c(c2oc2c1cc(Br)c(=O)c2Br)Br)O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)S)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1cc(C)c(=O)[nH]c1=O)S)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)S)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1cnc2c1nc(N)[nH]c2=O
  • InChi: 1S/C137H161Br4N36O76P11S4/c1-52-30-167(131(194)160-114(52)181)88-20-67(244-254(201,202)220-15-11-9-8-10-14-146-130(265)151-59-12-13-60(61(16-59)125(192)193)99-62-17-64(138)106(179)100(140)108(62)242-109-63(99)18-65(139)107(180)101(109)141)78(232-88)38-222-258(209,210)250-73-26-98(177-51-150-105-113(177)155-129(145)159-124(105)191)241-87(73)47-230-264(219,268)253-76-29-94(173-36-58(7)120(187)166-137(173)200)236-84(76)44-227-261(215,216)249-72-25-97(176-50-149-104-112(176)154-128(144)158-123(104)190)240-81(72)41-224-257(207,208)247-70-23-91(170-33-55(4)117(184)163-134(170)197)238-86(70)46-229-262(217,266)251-74-27-92(171-34-56(5)118(185)164-135(171)198)234-82(74)42-225-259(211,212)245-68-21-89(168-31-53(2)115(182)161-132(168)195)233-79(68)39-223-256(205,206)246-69-22-90(169-32-54(3)116(183)162-133(169)196)237-85(69)45-228-263(218,267)252-75-28-93(172-35-57(6)119(186)165-136(172)199)235-83(75)43-226-260(213,214)248-71-24-96(175-49-148-103-111(175)153-127(143)157-122(103)189)239-80(71)40-221-255(203,204)243-66-19-95(231-77(66)37-178)174-48-147-102-110(174)152-126(142)156-121(102)188/h12-13,16-18,30-36,48-51,66-98,178-179H,8-11,14-15,19-29,37-47H2,1-7H3,(H,192,193)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,266)(H,218,267)(H,219,268)(H2,146,151,265)(H,160,181,194)(H,161,182,195)(H,162,183,196)(H,163,184,197)(H,164,185,198)(H,165,186,199)(H,166,187,200)(H3,142,152,156,188)(H3,143,153,157,189)(H3,144,154,158,190)(H3,145,155,159,191)/t66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,262?,263?,264?/m0/s1
  • InChiKey: XIPCSYYWFBSFKD-BZBJMRAWSA-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
Schistosoma mansoni hypothetical protein 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
Trypanosoma brucei RNA helicase, putative 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 AGC family protein kinase 0.0051 0.0139 0.3168
Echinococcus multilocularis cyclins 0.0054 0.0154 0.0387
Giardia lamblia Kinase, CMGC CDK 0.0048 0.0123 0.2905
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0068 0.0226 0.0172
Trypanosoma cruzi CYC2-like cyclin, putative 0.0079 0.0288 1
Echinococcus granulosus cyclins 0.0054 0.0154 0.0387
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.1899 1 1
Echinococcus multilocularis cyclins 0.0054 0.0154 0.0387
Loa Loa (eye worm) AUR protein kinase 0.0068 0.0226 0.0697
Echinococcus multilocularis cyclin dependent kinase 5 0.0048 0.0123 0.0292
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.1899 1 0.5
Trichomonas vaginalis AGC family protein kinase 0.0051 0.0139 0.3168
Giardia lamblia G2/mitotic-specific cyclin B 0.0079 0.0288 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0124 0.0382
Echinococcus multilocularis cyclins 0.0054 0.0154 0.0387
Entamoeba histolytica cell division protein kinase 2, putative 0.0048 0.0123 0.06
Schistosoma mansoni serine/threonine protein kinase 0.0336 0.166 0.5467
Schistosoma mansoni cyclins 0.0054 0.0154 0.0335
Loa Loa (eye worm) hypothetical protein 0.0634 0.3248 1
Schistosoma mansoni metabotropic glutamate receptor 0.0431 0.2167 0.7197
Echinococcus multilocularis aurora kinase A 0.0068 0.0226 0.0613
Onchocerca volvulus Poor gastrulation protein homolog 0.0084 0.0312 1
Echinococcus granulosus aurora kinase A 0.0068 0.0226 0.0613
Loa Loa (eye worm) hypothetical protein 0.0079 0.0288 0.0887
Schistosoma mansoni protein kinase 0.005 0.0132 0.026
Echinococcus granulosus glutamate receptor 2 0.0048 0.0124 0.0295
Echinococcus granulosus cyclins 0.0054 0.0154 0.0387
Brugia malayi Metabotropic glutamate receptor precursor. 0.0515 0.2613 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0048 0.0123 0.0379
Trichomonas vaginalis cyclin B, putative 0.0054 0.0154 0.3854
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0123 0.2447
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0048 0.0123 0.2726
Echinococcus granulosus cyclin B 0.0079 0.0288 0.0804
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.005 0.0132 0.0406
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0132 0.057 0.1755
Entamoeba histolytica fatty acid elongase, putative 0.0247 0.1182 1
Trichomonas vaginalis cyclin B, putative 0.0079 0.0288 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0124 0.0382
Plasmodium falciparum protein kinase 5 0.0048 0.0123 0.0068
Echinococcus multilocularis receptor type guanylyl cyclase 0.005 0.0132 0.0319
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0048 0.0124 0.0295
Loa Loa (eye worm) hypothetical protein 0.0048 0.0124 0.0382
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0048 0.0123 0.0292
Echinococcus multilocularis cyclins 0.0054 0.0154 0.0387
Brugia malayi Protein kinase domain containing protein 0.0051 0.0139 0.0063
Echinococcus granulosus cyclin dependent kinase 0.0048 0.0123 0.0292
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0036 0.0055 0.0082
Entamoeba histolytica protein kinase, putative 0.0051 0.0139 0.0739
Echinococcus granulosus nmda type glutamate receptor 0.0048 0.0124 0.0295
Brugia malayi metabotropic glutamate receptor type 2 0.0251 0.1205 0.4345
Brugia malayi Receptor family ligand binding region containing protein 0.005 0.0132 0.0035
Trypanosoma cruzi cdc2-related kinase 1 0.0048 0.0123 0.2905
Loa Loa (eye worm) cyclin domain-containing protein 0.0054 0.0154 0.0473
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0154 0.3854
Trypanosoma brucei aurora B kinase 0.0068 0.0226 0.2523
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0048 0.0124 0.0295
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.1899 1 1
Trichomonas vaginalis cyclin B, putative 0.0079 0.0288 1
Entamoeba histolytica hypothetical protein 0.0048 0.0124 0.0609
Schistosoma mansoni metabotropic glutamate receptor 0.0251 0.1205 0.3917
Entamoeba histolytica protein kinase, putative 0.0051 0.0139 0.0739
Schistosoma mansoni serine/threonine protein kinase 0.0068 0.0226 0.0583
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0226 0.7183
Trichomonas vaginalis cyclins, putative 0.0054 0.0154 0.3854
Entamoeba histolytica protein kinase domain containing protein 0.0068 0.0226 0.1518
Echinococcus granulosus cyclins 0.0054 0.0154 0.0387
Trypanosoma cruzi extracellular receptor, putative 0.0048 0.0124 0.2953
Echinococcus granulosus cyclin dependent kinase 6 0.0336 0.166 0.5066
Onchocerca volvulus 0.005 0.0132 0.0406
Trypanosoma brucei mitotic cyclin 6 0.0079 0.0288 0.4024
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0068 0.0226 0.1518
Trichomonas vaginalis AGC family protein kinase 0.0051 0.0139 0.3168
Loa Loa (eye worm) RGC/RGC protein kinase 0.005 0.0132 0.0405
Loa Loa (eye worm) hypothetical protein 0.0048 0.0124 0.0382
Echinococcus granulosus metabotropic glutamate receptor 5 0.0634 0.3248 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0036 0.0055 0.0082
Echinococcus multilocularis cyclin dependent kinase 0.0048 0.0123 0.0292
Entamoeba histolytica protein kinase , putative 0.0068 0.0226 0.1518
Echinococcus multilocularis nmda type glutamate receptor 0.0048 0.0124 0.0295
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0048 0.0124 0.0295
Echinococcus granulosus metabotropic glutamate receptor 2 0.0431 0.2167 0.6642
Schistosoma mansoni hypothetical protein 0.0125 0.0533 0.1628
Echinococcus multilocularis cyclins 0.0054 0.0154 0.0387
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0068 0.0226 0.0613
Schistosoma mansoni protein kinase 0.0068 0.0226 0.0583
Trichomonas vaginalis cyclins, putative 0.0079 0.0288 1
Echinococcus multilocularis cyclin B 0.0079 0.0288 0.0804
Brugia malayi Guanylyl cyclase protein 23 0.005 0.0132 0.0035
Echinococcus granulosus cyclin dependent kinase 1 0.0048 0.0123 0.0292
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0054 0.0154 0.0387
Trichomonas vaginalis cyclins, putative 0.0079 0.0288 1
Loa Loa (eye worm) AUR protein kinase 0.0068 0.0226 0.0697
Loa Loa (eye worm) glutamate receptor 0.0515 0.2613 0.8045
Echinococcus multilocularis cyclins 0.0054 0.0154 0.0387
Trypanosoma cruzi cyclin, putative 0.0079 0.0288 1
Echinococcus granulosus serine threonine protein kinase nrc 0.0036 0.0055 0.0082
Echinococcus granulosus cyclins 0.0054 0.0154 0.0387
Echinococcus multilocularis glutamate receptor 2 0.0048 0.0124 0.0295
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.1899 1 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0048 0.0124 0.0295
Echinococcus granulosus cyclins 0.0054 0.0154 0.0387
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0048 0.0124 0.0382
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0226 0.7183
Schistosoma mansoni tyrosine kinase 0.005 0.0132 0.026
Loa Loa (eye worm) hypothetical protein 0.0132 0.057 0.1755
Trypanosoma cruzi cdc2-related kinase 3 0.0048 0.0123 0.2905
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0123 0.2447
Loa Loa (eye worm) hypothetical protein 0.005 0.0132 0.0405
Trypanosoma cruzi cdc2-related kinase 3 0.0048 0.0123 0.2905
Trichomonas vaginalis cyclins, putative 0.0079 0.0288 1
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0084 0.0312 1
Schistosoma mansoni glutamate receptor NMDA 0.0048 0.0124 0.0234
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0226 0.7183
Trypanosoma brucei rac serine-threonine kinase, putative 0.0051 0.0139 0.0384
Echinococcus granulosus receptor type guanylyl cyclase 0.005 0.0132 0.0319
Toxoplasma gondii aurora kinase 0.0068 0.0226 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0097 0.0297
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.1899 1 0.5
Toxoplasma gondii AGC kinase 0.0051 0.0139 0.3832
Echinococcus granulosus cyclin dependent kinase 5 0.0048 0.0123 0.0292
Echinococcus granulosus serine/threonine protein kinase 0.0036 0.0055 0.0082
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0048 0.0124 0.0295
Entamoeba histolytica cyclin, putative 0.0079 0.0288 0.2064
Echinococcus granulosus GPCR family 3 C terminal 0.0084 0.0312 0.0878
Schistosoma mansoni serine/threonine protein kinase 0.0048 0.0123 0.023
Echinococcus multilocularis cyclin b3 0.0054 0.0154 0.0387
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0068 0.0226 0.0613
Echinococcus granulosus atrial natriuretic peptide receptor 0.0048 0.0124 0.0295
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0048 0.0123 0.0379
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0048 0.0123 0.0379
Leishmania major protein kinase, putative 0.0068 0.0226 0.627
Trichomonas vaginalis AGC family protein kinase 0.0051 0.0139 0.3168
Schistosoma mansoni cyclin B 0.0079 0.0288 0.0793
Plasmodium falciparum cyclin 0.0054 0.0154 0.0099
Trichomonas vaginalis AGC family protein kinase 0.0051 0.0139 0.3168
Brugia malayi Cyclin, N-terminal domain containing protein 0.0054 0.0154 0.0123
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0123 0.2447
Entamoeba histolytica cyclin, putative 0.0054 0.0154 0.0872
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0431 0.2167 0.6642
Brugia malayi p70 ribosomal S6 kinase beta 0.0051 0.0139 0.0063
Echinococcus multilocularis glutamate receptor 2 0.0048 0.0124 0.0295
Trypanosoma brucei RNA helicase, putative 0.0125 0.0533 1
Trichomonas vaginalis cyclin B3, putative 0.0054 0.0154 0.3854
Echinococcus multilocularis cyclin dependent kinase 6 0.0336 0.166 0.5066
Brugia malayi serine/threonine kinase 12 0.0068 0.0226 0.0415
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0048 0.0124 0.0295
Trichomonas vaginalis AGC family protein kinase 0.0051 0.0139 0.3168
Entamoeba histolytica protein kinase, putative 0.0068 0.0226 0.1518
Trichomonas vaginalis cyclin B, putative 0.0079 0.0288 1
Plasmodium vivax protein kinase Crk2 0.0048 0.0123 0.0068
Entamoeba histolytica fatty acid elongase, putative 0.0247 0.1182 1
Trichomonas vaginalis cyclin D, putative 0.0054 0.0154 0.3854
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0079 0.0288 1
Brugia malayi Receptor family ligand binding region containing protein 0.0132 0.057 0.1795
Entamoeba histolytica fatty acid elongase, putative 0.0247 0.1182 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0124 0.0382
Schistosoma mansoni serine/threonine protein kinase 0.0048 0.0123 0.023
Entamoeba histolytica protein kinase, putative 0.0068 0.0226 0.1518
Echinococcus multilocularis cyclins 0.0054 0.0154 0.0387
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.1899 1 0.5
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0084 0.0312 0.0758
Brugia malayi serine/threonine protein kinase 6 0.0068 0.0226 0.0415
Echinococcus multilocularis cyclin B3 1 0.0054 0.0154 0.0387
Brugia malayi Cyclin, N-terminal domain containing protein 0.0079 0.0288 0.0663
Schistosoma mansoni hypothetical protein 0.0084 0.0312 0.0873
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0048 0.0124 0.0004
Giardia lamblia Aurora kinase 0.0068 0.0226 0.7354
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0048 0.0124 0.0295
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0132 0.057 0.1755
Plasmodium falciparum serine/threonine protein kinase, putative 0.0068 0.0226 0.0172
Echinococcus granulosus cyclin B3 1 0.0054 0.0154 0.0387
Entamoeba histolytica fatty acid elongase, putative 0.0247 0.1182 1
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.1899 1 0.5
Echinococcus granulosus tyrosine kinase 0.005 0.0132 0.0319
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0068 0.0226 0.1518
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0226 0.7183
Trypanosoma cruzi cdc2-related kinase 1 0.0048 0.0123 0.2905
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0634 0.3248 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0048 0.0123 0.0292
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0048 0.0124 0.0295
Schistosoma mansoni tyrosine kinase 0.005 0.0132 0.026
Loa Loa (eye worm) RGC/RGC protein kinase 0.005 0.0132 0.0405
Trichomonas vaginalis cyclin A, putative 0.0079 0.0288 1
Loa Loa (eye worm) AUR protein kinase 0.0068 0.0226 0.0697
Echinococcus multilocularis cyclin dependent kinase 1 0.0048 0.0123 0.0292
Giardia lamblia Kinase, CMGC CDK 0.0048 0.0123 0.2905
Loa Loa (eye worm) hypothetical protein 0.0079 0.0288 0.0887
Echinococcus granulosus glutamate receptor 2 0.0048 0.0124 0.0295
Giardia lamblia Cyclin A 0.0054 0.0154 0.4226
Entamoeba histolytica cyclin family protein 0.0054 0.0154 0.0872
Loa Loa (eye worm) RGC/RGC protein kinase 0.005 0.0132 0.0405
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0585 0.2989 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0048 0.0124 0.0295
Loa Loa (eye worm) hypothetical protein 0.0084 0.0312 0.096
Entamoeba histolytica protein kinase, putative 0.0051 0.0139 0.0739
Leishmania major cyclin 0.0079 0.0288 1
Onchocerca volvulus 0.0079 0.0288 0.8736
Giardia lamblia Hypothetical protein 0.0054 0.0154 0.4226
Entamoeba histolytica fatty acid elongase, putative 0.0247 0.1182 1
Brugia malayi hypothetical protein 0.0048 0.0124 0.0004
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0054 0.0154 0.0387
Trypanosoma cruzi cyclin 6, putative 0.0079 0.0288 1
Leishmania major extracellular receptor, putative 0.0048 0.0124 0.0067
Trichomonas vaginalis cyclins, putative 0.0079 0.0288 1
Echinococcus multilocularis rac serine:threonine kinase 0.0036 0.0055 0.0082
Brugia malayi Cyclin, N-terminal domain containing protein 0.0079 0.0288 0.0663
Echinococcus granulosus cyclin b3 0.0054 0.0154 0.0387
Echinococcus multilocularis GPCR, family 3, C terminal 0.0084 0.0312 0.0878
Brugia malayi serine/threonine-protein kinase 6 0.0068 0.0226 0.0415
Trichomonas vaginalis AGC family protein kinase 0.0051 0.0139 0.3168
Trypanosoma cruzi aurora B kinase, putative 0.0068 0.0226 0.7354
Echinococcus multilocularis tyrosine kinase 0.005 0.0132 0.0319
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0068 0.0226 0.1518
Trichomonas vaginalis cyclin B, putative 0.0079 0.0288 1
Loa Loa (eye worm) glutamate receptor 0.0202 0.0946 0.2914
Trichomonas vaginalis cyclin D, putative 0.0054 0.0154 0.3854
Schistosoma mansoni cyclin B3 0.0054 0.0154 0.0335
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0466 0.2355 0.8963
Trypanosoma cruzi cyclin, putative 0.0079 0.0288 1
Entamoeba histolytica cyclin family protein 0.0054 0.0154 0.0872
Loa Loa (eye worm) AGC/AKT protein kinase 0.0051 0.0139 0.0427
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0051 0.0139 0.0427
Loa Loa (eye worm) hypothetical protein 0.0048 0.0124 0.0382
Entamoeba histolytica cell division protein kinase 2, putative 0.0048 0.0123 0.06

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 24 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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.