Detailed information for compound 1660795

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 820.749 | Formula: C28H26N2Na2O16S4
  • H donors: 8 H acceptors: 16 LogP: 1.52 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 4
  • SMILES: O=C(Nc1cc(cc2c1c(O)cc(c2)S(=O)(=O)[O-])S(=O)(=O)O)CCCCCCC(=O)Nc1cc(cc2c1c(O)cc(c2)S(=O)(=O)[O-])S(=O)(=O)O.[Na+].[Na+]
  • InChi: 1S/C28H28N2O16S4.2Na/c31-23-13-19(49(41,42)43)9-15-7-17(47(35,36)37)11-21(27(15)23)29-25(33)5-3-1-2-4-6-26(34)30-22-12-18(48(38,39)40)8-16-10-20(50(44,45)46)14-24(32)28(16)22;;/h7-14,31-32H,1-6H2,(H,29,33)(H,30,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2
  • InChiKey: OVYNENWXYRLUCS-UHFFFAOYSA-L  


Substructure search Similarity search

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0095 0.0125 0.0228
Trichomonas vaginalis cyclins, putative 0.0699 0.5499 1
Trypanosoma cruzi cyclin, putative 0.0699 0.5499 1
Echinococcus granulosus cyclin b3 0.0401 0.2848 0.518
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trypanosoma brucei Mitogen-activated protein kinase 10, putative 0.0105 0.0211 0.0383
Trichomonas vaginalis cyclin B, putative 0.0129 0.0427 0.0777
Trypanosoma cruzi cyclin 9, putative 0.0129 0.0427 0.0777
Echinococcus granulosus cyclin B3 1 0.0401 0.2848 0.518
Brugia malayi Cyclin, N-terminal domain containing protein 0.0129 0.0427 0.0427
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0105 0.0211 0.0383
Entamoeba histolytica hypothetical protein 0.0129 0.0427 0.0777
Plasmodium vivax cyclin dependent kinase binding protein, putative 0.0129 0.0427 0.7
Entamoeba histolytica cyclin, putative 0.0699 0.5499 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0392 0.2764 0.5026
Plasmodium vivax protein kinase Crk2 0.0101 0.0173 0.2835
Entamoeba histolytica protein kinase domain containing protein 0.0119 0.0336 0.0612
Giardia lamblia Kinase, CMGC CDK 0.0101 0.0173 0.0315
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.0427 0.0777
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.0105 0.0211 0.0383
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0082 0.0009 0.0016
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0392 0.2764 0.4815
Trichomonas vaginalis cyclin D, putative 0.0129 0.0427 0.0777
Brugia malayi Cyclin, N-terminal domain containing protein 0.0129 0.0427 0.0427
Loa Loa (eye worm) haspin protein kinase 0.0095 0.0125 0.0125
Schistosoma mansoni serine/threonine protein kinase 0.0101 0.0173 0.0315
Leishmania major serine/threonine kinase-like protein, putative 0.0105 0.0211 0.0383
Onchocerca volvulus 0.0699 0.5499 1
Trichomonas vaginalis cyclins, putative 0.0129 0.0427 0.0777
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Brugia malayi Cyclin, N-terminal domain containing protein 0.0129 0.0427 0.0427
Echinococcus multilocularis cyclin dependent kinase 7 0.0173 0.0815 0.1483
Trichomonas vaginalis cyclins, putative 0.0427 0.3077 0.5597
Trichomonas vaginalis AGC family protein kinase 0.0105 0.0211 0.0383
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0106 0.0225 0.0812
Trypanosoma cruzi cdc2-related kinase 1 0.0101 0.0173 0.0315
Trypanosoma brucei cyclin 3 0.0129 0.0427 0.0777
Echinococcus granulosus cyclins 0.0401 0.2848 0.518
Loa Loa (eye worm) cyclin fold protein 1 variant b 0.0129 0.0427 0.0427
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.0009 1
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0119 0.0336 0.0612
Trichomonas vaginalis AGC family protein kinase 0.0105 0.0211 0.0383
Echinococcus multilocularis purine nucleoside phosphorylase 0.0392 0.2764 0.5026
Leishmania major cyclin 0.0699 0.5499 1
Entamoeba histolytica cyclin family protein 0.0401 0.2848 0.518
Echinococcus granulosus cdk5 and abl1 enzyme substrate 1 0.0129 0.0427 0.0777
Echinococcus granulosus cyclin G2 0.0129 0.0427 0.0777
Loa Loa (eye worm) haspin protein kinase 0.0095 0.0125 0.0125
Echinococcus multilocularis cyclins 0.0401 0.2848 0.518
Echinococcus multilocularis cyclins 0.0401 0.2848 0.518
Schistosoma mansoni kinase 0.0553 0.4195 0.7629
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0101 0.0173 0.1018
Trichomonas vaginalis CMGC family protein kinase 0.0105 0.0211 0.0383
Echinococcus granulosus purine nucleoside phosphorylase 0.0392 0.2764 0.5026
Echinococcus granulosus purine nucleoside phosphorylase 0.0392 0.2764 0.5026
Mycobacterium ulcerans thymidylate synthase 0.0106 0.0225 0.0812
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0105 0.0211 0.0383
Plasmodium falciparum protein kinase 5 0.0101 0.0173 0.0607
Echinococcus multilocularis purine nucleoside phosphorylase 0.0392 0.2764 0.5026
Entamoeba histolytica protein kinase, putative 0.0119 0.0336 0.0612
Trichomonas vaginalis cyclins, putative 0.0699 0.5499 1
Onchocerca volvulus Protein CNPPD1 homolog 0.0129 0.0427 0.0384
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Echinococcus granulosus cyclins 0.0401 0.2848 0.518
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0082 0.0009 0.0031
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Schistosoma mansoni g1/s-specific cyclin C 0.0685 0.537 0.9766
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.015 0.061 0.3592
Entamoeba histolytica hypothetical protein 0.0095 0.0125 0.0228
Entamoeba histolytica cell division protein kinase 2, putative 0.0101 0.0173 0.0315
Trichomonas vaginalis AGC family protein kinase 0.0105 0.0211 0.0383
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0106 0.0225 0.0812
Echinococcus multilocularis cyclins 0.0401 0.2848 0.518
Trypanosoma brucei RNA helicase, putative 0.01 0.0168 0.0305
Loa Loa (eye worm) cyclin domain-containing protein 0.0129 0.0427 0.0427
Echinococcus granulosus G1:S specific cyclin D1 0.0129 0.0427 0.0777
Loa Loa (eye worm) cyclin domain-containing protein 0.0129 0.0427 0.0427
Trichomonas vaginalis cyclin D, putative 0.0401 0.2848 0.518
Trichomonas vaginalis AGC family protein kinase 0.0105 0.0211 0.0383
Echinococcus granulosus thymidylate synthase 0.0106 0.0225 0.0408
Loa Loa (eye worm) cyclin domain-containing protein 0.0129 0.0427 0.0427
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0095 0.0125 0.0228
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0105 0.0211 0.0211
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0009 0.003
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.0369 0.0369
Echinococcus multilocularis cyclin dependent kinase 9 0.0648 0.5042 0.917
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Echinococcus multilocularis purine nucleoside phosphorylase 0.0392 0.2764 0.5026
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0101 0.0173 0.0173
Brugia malayi cyclin-dependent kinase 9 0.0553 0.4195 0.4195
Loa Loa (eye worm) CYL-1 protein 0.0129 0.0427 0.0427
Trypanosoma cruzi aurora B kinase, putative 0.0119 0.0336 0.0612
Giardia lamblia Aurora kinase 0.0119 0.0336 0.0612
Toxoplasma gondii cyclin, N-terminal domain-containing protein 0.0129 0.0427 0.2514
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0392 0.2764 0.2764
Schistosoma mansoni purine nucleoside phosphorylase 0.0392 0.2764 0.5026
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trypanosoma cruzi hypothetical protein, conserved 0.0129 0.0427 0.0777
Trypanosoma cruzi cyclin, putative 0.0699 0.5499 1
Echinococcus multilocularis cyclin 0.0685 0.537 0.9766
Echinococcus multilocularis cyclins 0.0401 0.2848 0.518
Schistosoma mansoni Cyclin fold protein 0.0129 0.0427 0.0777
Giardia lamblia Cyclin fold protein 1, putative 0.0129 0.0427 0.0777
Loa Loa (eye worm) hypothetical protein 0.0091 0.0088 0.0088
Toxoplasma gondii aurora kinase 0.0119 0.0336 0.1979
Trypanosoma brucei mitotic cyclin 0.0129 0.0427 0.0777
Trypanosoma brucei mitotic cyclin 6 0.0699 0.5499 1
Toxoplasma gondii hypothetical protein 0.0129 0.0427 0.2514
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0401 0.2848 0.518
Brugia malayi hypothetical protein 0.0129 0.0427 0.0427
Echinococcus multilocularis Cyclin L1 0.0129 0.0427 0.0777
Trichomonas vaginalis AGC family protein kinase 0.0119 0.0336 0.0612
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0401 0.2848 0.518
Trichomonas vaginalis cyclin B, putative 0.0699 0.5499 1
Schistosoma mansoni serine/threonine kinase 0.0105 0.0211 0.0383
Echinococcus granulosus serine:threonine protein kinase haspin 0.0095 0.0125 0.0228
Echinococcus multilocularis cyclin y 0.0129 0.0427 0.0777
Schistosoma mansoni serine/threonine protein kinase 0.0105 0.0211 0.0383
Brugia malayi Cyclin, N-terminal domain containing protein 0.0699 0.5499 0.5499
Trichomonas vaginalis CMGC family protein kinase 0.0105 0.0211 0.0383
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Echinococcus granulosus purine nucleoside phosphorylase 0.0392 0.2764 0.5026
Toxoplasma gondii hypothetical protein 0.0272 0.1699 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0392 0.2764 0.5026
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Giardia lamblia Hypothetical protein 0.0129 0.0427 0.0777
Leishmania major cyclin 9, putative 0.0129 0.0427 0.0777
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0105 0.0211 0.345
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0105 0.0211 0.0211
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Echinococcus multilocularis cyclin B3 1 0.0401 0.2848 0.518
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0119 0.0336 0.0612
Brugia malayi MH2 domain containing protein 0.0123 0.0369 0.0369
Echinococcus multilocularis purine nucleoside phosphorylase 0.0311 0.2042 0.3714
Trichomonas vaginalis cyclin A, putative 0.0129 0.0427 0.0777
Echinococcus multilocularis oligomeric golgi complex subunit 3 0.0685 0.537 0.9766
Echinococcus granulosus cyclin dependent kinase 9 0.0648 0.5042 0.917
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.015 0.061 0.111
Giardia lamblia Hypothetical protein 0.0129 0.0427 0.0777
Echinococcus granulosus cyclin 0.0685 0.537 0.9766
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Plasmodium falciparum cyclin 0.0401 0.2848 1
Trichomonas vaginalis conserved hypothetical protein 0.0401 0.2848 0.518
Brugia malayi Cyclin, N-terminal domain containing protein 0.0401 0.2848 0.2848
Trichomonas vaginalis CMGC family protein kinase 0.0105 0.0211 0.0383
Echinococcus multilocularis cyclin G2 0.0129 0.0427 0.0777
Plasmodium falciparum MO15-related protein kinase 0.0105 0.0211 0.0739
Echinococcus granulosus cyclin A3 4 0.0129 0.0427 0.0777
Echinococcus granulosus Pfam-B_8186 domain containing protein 0.0095 0.0125 0.0228
Loa Loa (eye worm) cyclin domain-containing protein 0.0129 0.0427 0.0427
Echinococcus multilocularis cyclin y 0.0129 0.0427 0.0777
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Schistosoma mansoni cyclin l 0.0129 0.0427 0.0777
Trichomonas vaginalis cyclin A, putative 0.0699 0.5499 1
Entamoeba histolytica cyclin C, putative 0.0129 0.0427 0.0777
Trichomonas vaginalis cyclin B3, putative 0.0129 0.0427 0.0777
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trypanosoma brucei cyclin dependent kinase-binding protein, putative 0.0129 0.0427 0.0777
Trypanosoma cruzi cdc2-related kinase 1 0.0101 0.0173 0.0315
Loa Loa (eye worm) cyclin domain-containing protein 0.0401 0.2848 0.2848
Echinococcus granulosus cyclin y 0.0129 0.0427 0.0777
Echinococcus multilocularis purine nucleoside phosphorylase 0.0392 0.2764 0.5026
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.0009 0.005
Echinococcus granulosus cyclin t1 0.0129 0.0427 0.0777
Echinococcus multilocularis cyclin B 0.0699 0.5499 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0106 0.0225 0.0408
Schistosoma mansoni hypothetical protein 0.0095 0.0125 0.0228
Plasmodium falciparum cyclin dependent kinase binding protein, putative 0.0129 0.0427 0.15
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Echinococcus multilocularis aurora kinase A 0.0119 0.0336 0.0612
Brugia malayi Cell division protein kinase 2 0.0105 0.0211 0.0211
Schistosoma mansoni cyclin G2 0.0129 0.0427 0.0777
Loa Loa (eye worm) cyclin C 0.0685 0.537 0.537
Schistosoma mansoni serine/threonine protein kinase 0.0173 0.0815 0.1483
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trichomonas vaginalis cyclin B3, putative 0.0129 0.0427 0.0777
Brugia malayi thymidylate synthase 0.0106 0.0225 0.0225
Loa Loa (eye worm) hypothetical protein 0.0298 0.1928 0.1928
Entamoeba histolytica cyclin family protein 0.0401 0.2848 0.518
Brugia malayi GSG2 0.0095 0.0125 0.0125
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0101 0.0173 0.0173
Echinococcus multilocularis cyclin b3 0.0401 0.2848 0.518
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Echinococcus multilocularis cdk5 and abl1 enzyme substrate 1 0.0129 0.0427 0.0777
Giardia lamblia G2/mitotic-specific cyclin B 0.0699 0.5499 1
Schistosoma mansoni hypothetical protein 0.0129 0.0427 0.0777
Trichomonas vaginalis AGC family protein kinase 0.0105 0.0211 0.0383
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0009 1
Brugia malayi hypothetical protein 0.0095 0.0125 0.0125
Brugia malayi hypothetical protein 0.0129 0.0427 0.0427
Brugia malayi Cyclin C 0.0685 0.537 0.537
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0311 0.2042 0.3714
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.015 0.061 1
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trichomonas vaginalis serine/threonine kinase, putative 0.0105 0.0211 0.0383
Plasmodium vivax hypothetical protein, conserved 0.0129 0.0427 0.7
Entamoeba histolytica protein kinase, putative 0.0119 0.0336 0.0612
Schistosoma mansoni serine/threonine protein kinase 0.0119 0.0336 0.0612
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0105 0.0211 0.345
Brugia malayi cyclin fold protein 1 variant b 0.0129 0.0427 0.0427
Entamoeba histolytica cyclin, domain containing protein 0.0129 0.0427 0.0777
Brugia malayi Protein kinase domain containing protein 0.0105 0.0211 0.0211
Echinococcus granulosus cyclin k 0.0129 0.0427 0.0777
Echinococcus multilocularis purine nucleoside phosphorylase 0.0311 0.2042 0.3714
Giardia lamblia Kinase, CAMK CAMKL 0.0105 0.0211 0.0383
Loa Loa (eye worm) AUR protein kinase 0.0119 0.0336 0.0336
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trichomonas vaginalis cyclin B, putative 0.0699 0.5499 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.0009 1
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0101 0.0173 0.0315
Loa Loa (eye worm) cyclin domain-containing protein 0.1206 1 1
Trichomonas vaginalis AGC family protein kinase 0.0119 0.0336 0.0612
Schistosoma mansoni serine/threonine protein kinase 0.0173 0.0815 0.1483
Echinococcus multilocularis G1:S specific cyclin D1 0.0129 0.0427 0.0777
Entamoeba histolytica protein kinase , putative 0.0119 0.0336 0.0612
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trichomonas vaginalis CMGC family protein kinase 0.0101 0.0173 0.0315
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0082 0.0009 0.0141
Brugia malayi cell division control protein 2 homolog 0.0101 0.0173 0.0173
Toxoplasma gondii cyclin domain protein, cyclin H family protein 0.0129 0.0427 0.2514
Echinococcus multilocularis purine nucleoside phosphorylase 0.0392 0.2764 0.5026
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.0369 0.0369
Schistosoma mansoni cyclin B 0.0699 0.5499 1
Trichomonas vaginalis cyclin B3, putative 0.0401 0.2848 0.518
Echinococcus granulosus cyclin G2 0.0129 0.0427 0.0777
Leishmania major mitotic cyclin, putative 0.0129 0.0427 0.0777
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0129 0.0427 0.15
Echinococcus granulosus cyclin dependent kinase 5 0.0101 0.0173 0.0315
Trichomonas vaginalis cyclin D, putative 0.0401 0.2848 0.518
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0009 0.0031
Loa Loa (eye worm) hypothetical protein 0.0417 0.2983 0.2983
Giardia lamblia Deoxynucleoside kinase 0.0401 0.2843 0.517
Trichomonas vaginalis CMGC family protein kinase 0.0101 0.0173 0.0315
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0101 0.0173 0.0315
Trypanosoma cruzi cyclin 6, putative 0.0699 0.5499 1
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0119 0.0336 0.0612
Echinococcus granulosus serine:threonine protein kinase haspin 0.0095 0.0125 0.0228
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0699 0.5499 1
Echinococcus granulosus aurora kinase A 0.0119 0.0336 0.0612
Trypanosoma cruzi cdc2-related kinase 3 0.0101 0.0173 0.0315
Schistosoma mansoni hypothetical protein 0.01 0.0168 0.0305
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Echinococcus granulosus serine:threonine protein kinase NLK 0.0105 0.0211 0.0383
Plasmodium vivax cyclin 4, putative 0.0129 0.0427 0.7
Loa Loa (eye worm) hypothetical protein 0.0082 0.0009 0.0009
Leishmania major protein kinase, putative 0.0119 0.0336 0.0612
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Loa Loa (eye worm) thymidylate synthase 0.0106 0.0225 0.0225
Trypanosoma cruzi mitotic cyclin, putative 0.0129 0.0427 0.0777
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0009 0.0031
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Entamoeba histolytica cyclin, domain containing protein 0.0129 0.0427 0.0777
Brugia malayi Cyclin, N-terminal domain containing protein 0.0129 0.0427 0.0427
Echinococcus granulosus cyclin B 0.0699 0.5499 1
Loa Loa (eye worm) hypothetical protein 0.0311 0.2042 0.2042
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.015 0.061 0.2143
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0105 0.0211 0.0383
Loa Loa (eye worm) hypothetical protein 0.0699 0.5499 0.5499
Trichomonas vaginalis G protein-coupled receptor kinase, putative 0.0105 0.0211 0.0383
Brugia malayi Probable ClpP-like protease 0.0082 0.0009 0.0009
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Echinococcus multilocularis cyclins 0.0401 0.2848 0.518
Entamoeba histolytica protein kinase domain containing protein 0.0553 0.4195 0.7629
Schistosoma mansoni hypothetical protein 0.0095 0.0125 0.0228
Trichomonas vaginalis AGC family protein kinase 0.0119 0.0336 0.0612
Schistosoma mansoni protein kinase 0.0119 0.0336 0.0612
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0101 0.0173 0.0315
Echinococcus granulosus cyclin dependent kinase 0.0101 0.0173 0.0315
Echinococcus multilocularis cyclins 0.0401 0.2848 0.518
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0119 0.0336 0.5509
Entamoeba histolytica hypothetical protein 0.0521 0.3908 0.7108
Giardia lamblia Cyclin A 0.0401 0.2848 0.518
Echinococcus granulosus purine nucleoside phosphorylase 0.0392 0.2764 0.5026
Trichomonas vaginalis cyclin H, putative 0.0521 0.3908 0.7108
Trichomonas vaginalis cyclin B, putative 0.0699 0.5499 1
Trypanosoma brucei protein kinase, putative 0.0105 0.0211 0.0383
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0082 0.0009 0.5
Giardia lamblia Kinase, CAMK CAMKL 0.0105 0.0211 0.0383
Onchocerca volvulus Cyclin L homolog 0.0129 0.0427 0.0384
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.0427 0.0777
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.0427 0.0777
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trichomonas vaginalis cyclins, putative 0.0699 0.5499 1
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0392 0.2764 0.5026
Plasmodium falciparum cyclin 1 0.0129 0.0427 0.15
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trypanosoma cruzi mitotic cyclin, putative 0.0129 0.0427 0.0777
Trichomonas vaginalis CMGC family protein kinase 0.0105 0.0211 0.0383
Echinococcus granulosus mitogen activated protein kinase 15 0.0105 0.0211 0.0383
Onchocerca volvulus Cyclin L homolog 0.0129 0.0427 0.0384
Schistosoma mansoni purine nucleoside phosphorylase 0.0392 0.2764 0.5026
Toxoplasma gondii cyclin dependent kinase binding protein 0.0129 0.0427 0.2514
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Brugia malayi Cyclin, N-terminal domain containing protein 0.0129 0.0427 0.0427
Giardia lamblia Kinase, CMGC CDK 0.0101 0.0173 0.0315
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0392 0.2764 0.5026
Plasmodium vivax cyclin homologue, putative 0.0129 0.0427 0.7
Leishmania major dihydrofolate reductase-thymidylate synthase 0.015 0.061 0.111
Trichomonas vaginalis CMGC family protein kinase 0.0101 0.0173 0.0315
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0392 0.2764 1
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Plasmodium falciparum serine/threonine protein kinase, putative 0.0119 0.0336 0.118
Entamoeba histolytica cell division protein kinase 2, putative 0.0196 0.102 0.1856
Giardia lamblia Hypothetical protein 0.0401 0.2848 0.518
Loa Loa (eye worm) haspin protein kinase 0.0105 0.0211 0.0211
Echinococcus multilocularis cyclin A3 4 0.0129 0.0427 0.0777
Schistosoma mansoni cyclin d 0.0129 0.0427 0.0777
Echinococcus granulosus cyclins 0.0401 0.2848 0.518
Schistosoma mansoni cyclins 0.0401 0.2848 0.518
Echinococcus multilocularis cyclin dependent kinase 1 0.0101 0.0173 0.0315
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0105 0.0211 0.0383
Echinococcus multilocularis purine nucleoside phosphorylase 0.0392 0.2764 0.5026
Trypanosoma brucei aurora B kinase 0.0119 0.0336 0.0612
Loa Loa (eye worm) hypothetical protein 0.0699 0.5499 0.5499
Schistosoma mansoni hypothetical protein 0.0129 0.0427 0.0777
Schistosoma mansoni cyclin B3 0.0401 0.2848 0.518
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0129 0.0427 0.0777
Schistosoma mansoni peptidase Clp (S14 family) 0.0082 0.0009 0.0016
Trypanosoma brucei cdc2-related kinase 3 0.0101 0.0173 0.0315
Loa Loa (eye worm) AUR protein kinase 0.0119 0.0336 0.0336
Echinococcus granulosus purine nucleoside phosphorylase 0.0392 0.2764 0.5026
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Echinococcus multilocularis cyclin dependent kinase 5 0.0101 0.0173 0.0315
Leishmania major mitotic cyclin, putative 0.0129 0.0427 0.0777
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Loa Loa (eye worm) cyclin domain-containing protein 0.0129 0.0427 0.0427
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Echinococcus multilocularis thymidylate synthase 0.0106 0.0225 0.0408
Echinococcus granulosus oligomeric golgi complex subunit 3 0.0685 0.537 0.9766
Schistosoma mansoni cyclin k 0.0129 0.0427 0.0777
Schistosoma mansoni cyclin G 0.0129 0.0427 0.0777
Brugia malayi Protein kinase domain containing protein 0.0101 0.0173 0.0173
Echinococcus granulosus cyclin y 0.0129 0.0427 0.0777
Echinococcus granulosus serine:threonine protein kinase haspin 0.0095 0.0125 0.0228
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Toxoplasma gondii cyclin 4, putative 0.0129 0.0427 0.2514
Schistosoma mansoni serine/threonine protein kinase 0.0553 0.4195 0.7629
Giardia lamblia Cyclin B-like protein 0.0129 0.0427 0.0777
Echinococcus granulosus Cyclin L1 0.0129 0.0427 0.0777
Trichomonas vaginalis cyclins, putative 0.0699 0.5499 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.0699 0.5499 1
Trichomonas vaginalis cyclin B, putative 0.0699 0.5499 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0129 0.0427 0.0427
Loa Loa (eye worm) hypothetical protein 0.0129 0.0427 0.0427
Echinococcus multilocularis cyclins 0.0401 0.2848 0.518
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trichomonas vaginalis cyclin B, putative 0.0129 0.0427 0.0777
Brugia malayi Cyclin, N-terminal domain containing protein 0.0699 0.5499 0.5499
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0105 0.0211 0.0383
Loa Loa (eye worm) CMGC/CDK/CDK9 protein kinase 0.0553 0.4195 0.4195
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.0009 0.005
Trichomonas vaginalis cyclins, putative 0.0401 0.2848 0.518
Trichomonas vaginalis protein kinase atmrk1, putative 0.0105 0.0211 0.0383
Loa Loa (eye worm) AUR protein kinase 0.0119 0.0336 0.0336
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.0427 0.0777
Echinococcus granulosus cyclin dependent kinase 1 0.0101 0.0173 0.0315
Echinococcus granulosus cyclins 0.0401 0.2848 0.518
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0392 0.2764 1
Trichomonas vaginalis AGC family protein kinase 0.0105 0.0211 0.0383
Brugia malayi serine/threonine-protein kinase 6 0.0119 0.0336 0.0336
Echinococcus granulosus purine nucleoside phosphorylase 0.0392 0.2764 0.5026
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0392 0.2764 1
Entamoeba histolytica cyclin, putative 0.0401 0.2848 0.518
Entamoeba histolytica protein kinase domain containing protein 0.0105 0.0211 0.0383
Trichomonas vaginalis AGC family protein kinase 0.0105 0.0211 0.0383
Trypanosoma brucei cdc2-related kinase 1 0.0101 0.0173 0.0315
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trichomonas vaginalis cyclins, putative 0.0129 0.0427 0.0777
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase 0.0173 0.0815 0.0815
Echinococcus granulosus cyclins 0.0129 0.0427 0.0777
Echinococcus multilocularis cyclin dependent kinase 0.0101 0.0173 0.0315
Brugia malayi serine/threonine protein kinase 6 0.0119 0.0336 0.0336
Trypanosoma cruzi cdc2-related kinase 3 0.0101 0.0173 0.0315
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trichomonas vaginalis cyclin B, putative 0.0401 0.2848 0.518
Echinococcus multilocularis cyclin G2 0.0129 0.0427 0.0777
Echinococcus multilocularis cyclin t1 0.0129 0.0427 0.0777
Brugia malayi serine/threonine kinase 12 0.0119 0.0336 0.0336
Schistosoma mansoni serine/threonine protein kinase 0.0101 0.0173 0.0315
Echinococcus multilocularis cyclin k 0.0129 0.0427 0.0777
Echinococcus multilocularis cyclin dependent kinase 9 0.0553 0.4195 0.7629
Onchocerca volvulus 0.0129 0.0427 0.0384
Trypanosoma brucei cyclin 9 0.0129 0.0427 0.0777
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Trichomonas vaginalis AGC family protein kinase 0.0119 0.0336 0.0612
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0105 0.0211 0.0383
Giardia lamblia Kinase, CAMK CAMKL 0.0105 0.0211 0.0383
Brugia malayi cyclin-dependent kinase 7 homolog 0.0268 0.1663 0.1663
Echinococcus multilocularis hypothetical protein 0.0095 0.0125 0.0228
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0082 0.0009 0.0016
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.0211 0.0383
Echinococcus granulosus cyclin dependent kinase 7 0.0173 0.0815 0.1483
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0119 0.0336 0.0612
Echinococcus granulosus cyclins 0.0401 0.2848 0.518
Echinococcus granulosus cyclin dependent kinase 9 0.0553 0.4195 0.7629
Echinococcus multilocularis cyclin dependent kinase 1 0.0101 0.0173 0.0315
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0101 0.0173 0.0173
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0119 0.0336 0.0612
Schistosoma mansoni protein kinase 0.0105 0.0211 0.0383
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.015 0.061 0.111

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 100 uM Cytotoxicity of the compound against HIV-1 in MT-4 cells was evaluated by using a clinical strain (HE) ChEMBL. 8336338
EC50 (functional) = 2.2 uM Antiviral activity against HIV-1 in MT-4 cells was evaluated by using a clinical strain (HE) ChEMBL. 8336338

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 8336338

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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