Detailed information for compound 157128

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 412.568 | Formula: C22H24N2O2S2
  • H donors: 0 H acceptors: 2 LogP: 4.11 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)[C@@H]1SCC(=O)N1CCN1C(=O)CS[C@@H]1c1cccc(c1)C
  • InChi: 1S/C22H24N2O2S2/c1-15-5-3-7-17(11-15)21-23(19(25)13-27-21)9-10-24-20(26)14-28-22(24)18-8-4-6-16(2)12-18/h3-8,11-12,21-22H,9-10,13-14H2,1-2H3/t21-,22+
  • InChiKey: SRFUBVUBPMENPP-SZPZYZBQSA-N  


Substructure search Similarity search

Network

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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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0134 0.0051
Loa Loa (eye worm) hypothetical protein 0.0019 0.0149 0.0149
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0149 0.0097
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0084 0.0084
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0084 0.044
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.223 0.3588
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0045 0.0754 0.0754
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0149 0.1372
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0149 0.0097
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0149 0.0097
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0488 0.5755
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0313 0.0313
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0084 0.0084
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0149 0.1372
Loa Loa (eye worm) hypothetical protein 0.0156 0.3335 0.3335
Mycobacterium leprae DIVALENT CATION-TRANSPORT INTEGRAL MEMBRANE PROTEIN MNTH (BRAMP) (MRAMP) 0.0273 0.6066 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.0323 0.0271
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0323 0.029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0754 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0134 0.1073
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0809 0.0809
Echinococcus granulosus lamin 0.0027 0.0323 0.0323
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0149 0.0149
Plasmodium falciparum glutathione reductase 0.0048 0.0809 0.0731
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0084 0.0013
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0134 0.0063
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.0019 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.0078 0.1522 0.1522
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0019 0.0149 0.0149
Schistosoma mansoni lamin 0.0027 0.0323 0.0271
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0329 0.3945
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.223 0.3588
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0045 0.0754 0.0815
Trypanosoma cruzi cytochrome P450, putative 0.0016 0.0071 0.0239
Schistosoma mansoni z-protein (S1r protein) 0.0019 0.0149 0.0097
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.2512 0.406
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0084 0.0408
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0084 0.5
Loa Loa (eye worm) hypothetical protein 0.0319 0.7143 0.7143
Loa Loa (eye worm) phosphatidylinositol 3 0.0015 0.0053 0.0053
Echinococcus multilocularis lamin dm0 0.0027 0.0323 0.0323
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0809 0.1212
Toxoplasma gondii thioredoxin reductase 0.0048 0.0809 0.0731
Echinococcus multilocularis lamin 0.0027 0.0323 0.0323
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0488 0.5755
Trypanosoma brucei MATE efflux family protein, putative 0.0034 0.0488 0.5755
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0198 0.1919
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0483 0.6145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0538 0.6922
Brugia malayi hypothetical protein 0.0019 0.0149 0.0116
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0149 0.0149
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0084 0.0408
Trypanosoma brucei membrane transporter protein, putative 0.0034 0.0488 0.5755
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0084 0.0408
Leishmania major cytochrome p450-like protein 0.0016 0.0071 0.0239
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0149 0.0149
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0269 0.3078
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0149 0.0149
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0538 0.6922
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.2512 0.406
Leishmania major trypanothione reductase 0.0048 0.0809 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0084 0.0408
Trypanosoma brucei trypanothione reductase 0.0048 0.0809 1
Brugia malayi hypothetical protein 0.0019 0.0149 0.0116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0268 0.3066
Echinococcus multilocularis multidrug and toxin extrusion protein 2 0.0034 0.0488 0.0488
Brugia malayi PXA domain containing protein 0.0019 0.0149 0.0116
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0323 0.0323
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0483 0.6145
Brugia malayi Cytochrome P450 family protein 0.0016 0.0071 0.0038
Entamoeba histolytica hypothetical protein 0.0098 0.1985 0.2436
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0084 0.044
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.2512 0.0736
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0084 0.0408
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0134 0.1157
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0134 0.0066
Echinococcus multilocularis regulator of G protein signaling 0.0019 0.0149 0.0149
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0019 0.0149 0.0116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0149 0.0149
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0269 0.3078
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0134 0.1073
Echinococcus multilocularis beta adrenergic receptor kinase 0.0019 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.0019 0.0149 0.0149
Echinococcus granulosus multidrug and toxin extrusion protein 2 0.0034 0.0488 0.0488
Schistosoma mansoni ap endonuclease 0.0019 0.0134 0.0082
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0045 0.0754 0.0815
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0134 0.1157
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0098 0.1985 0.2436
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.223 0.3588
Brugia malayi Cytochrome P450 family protein 0.0026 0.0313 0.0281
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0149 0.0097
Echinococcus granulosus divalent metal transporter DMT1B 0.0442 1 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0084 0.0013
Trypanosoma brucei membrane transporter protein, putative 0.0034 0.0488 0.5755
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0149 0.0149
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0809 0.0809
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0149 0.1372
Schistosoma mansoni divalent metal transporter DMT1B 0.0442 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0754 0.0754
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0134 0.0134
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0149 0.0097
Entamoeba histolytica hypothetical protein 0.0019 0.0149 0.002
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0809 0.0809
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0483 0.6145
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0149 0.0149
Trypanosoma brucei cytochrome P450, putative 0.0016 0.0071 0.0239
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0045 0.0754 0.9272
Schistosoma mansoni divalent metal transporter DMT1B 0.0442 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0036 0.0539 0.6429
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0033 0.0033
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0149 0.0097
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.2512 0.406
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0071 0.0071
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0084 0.0408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0599 0.78
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0329 0.3945
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0149 0.0149
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0019 0.0149 0.0149
Brugia malayi intermediate filament protein 0.0027 0.0323 0.029
Schistosoma mansoni lamin 0.0027 0.0323 0.0271
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0149 0.0097
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0384 0.4722
Onchocerca volvulus Protein Malvolio homolog 0.0442 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0084 0.0408
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0149 0.1372
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0134 0.0134
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0084 0.0408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0323 0.3855
Echinococcus multilocularis musashi 0.0027 0.0323 0.0323
Mycobacterium leprae possible membrane transport protein 0.0169 0.3633 0.3658
Loa Loa (eye worm) hypothetical protein 0.0027 0.0323 0.0323
Toxoplasma gondii exonuclease III APE 0.0019 0.0134 0.0051
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0754 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.223 0.3588
Trypanosoma cruzi membrane transporter protein, putative 0.0034 0.0488 0.5755
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0268 0.3066
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0754 1
Plasmodium falciparum transporter, putative 0.0442 1 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0084 0.0408
Entamoeba histolytica hypothetical protein 0.0019 0.0149 0.002
Loa Loa (eye worm) hypothetical protein 0.0442 1 1
Loa Loa (eye worm) glutathione reductase 0.0048 0.0809 0.0809
Giardia lamblia DNA repair protein RAD52 0.0345 0.7735 1
Plasmodium falciparum thioredoxin reductase 0.0048 0.0809 0.0731
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0134 0.0084
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0134 0.0051
Loa Loa (eye worm) PXA domain-containing protein 0.0019 0.0149 0.0149
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0084 0.0408
Mycobacterium tuberculosis Probable reductase 0.0109 0.223 0.3588
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0134 0.0101
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0149 0.0149
Echinococcus granulosus Regulator of G protein signaling 20 0.0019 0.0149 0.0149
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0045 0.0754 0.9272
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0019 0.0137 0.1116
Brugia malayi regulator of G-protein signaling egl-10 0.0019 0.0149 0.0116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0538 0.6922
Echinococcus multilocularis geminin 0.0168 0.3616 0.3616
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0084 0.0408
Schistosoma mansoni ap endonuclease 0.0019 0.0134 0.0082
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0084 0.0408
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0134 0.1073
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0045 0.0754 0.9272
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0149 0.0149
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0084 0.0408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0268 0.3066
Loa Loa (eye worm) hypothetical protein 0.0026 0.0311 0.0311
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0084 0.0013
Mycobacterium ulcerans divalent cation-transport integral membrane protein 0.0169 0.3633 0.3588
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0015 0.0053 0.0053
Echinococcus granulosus small conductance calcium activated potassium 0.0156 0.3335 0.3335
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0045 0.0754 0.0705
Schistosoma mansoni multidrug resistance protein 0.0034 0.0488 0.0437
Schistosoma mansoni hypothetical protein 0.0168 0.3616 0.3582
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0483 0.6145
Entamoeba histolytica hypothetical protein 0.0019 0.0149 0.002
Mycobacterium tuberculosis Divalent cation-transport integral membrane protein MntH (BRAMP) (MRAMP) 0.0273 0.6066 1
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0149 0.0097
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0488 0.5755
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0149 0.1372
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0483 0.6145
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0323 0.0323
Leishmania major hypothetical protein, conserved 0.0034 0.0488 0.5755
Echinococcus multilocularis expressed protein 0.0376 0.8457 0.8457
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0323 0.3855
Brugia malayi PXA domain containing protein 0.0019 0.0149 0.0116
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.0019 0.0149 0.0149
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0149 0.0097
Toxoplasma gondii target of rapamycin (TOR), putative 0.0034 0.0483 0.0403
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0149 0.0097
Echinococcus granulosus beta-adrenergic receptor kinase 0.0019 0.0149 0.0149
Echinococcus multilocularis Multi antimicrobial extrusion protein MatE 0.0031 0.0419 0.0419
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0149 0.0097
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.223 0.3588
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0084 0.0408
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0036 0.0539 0.6429
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0149 0.1372
Trypanosoma cruzi cytochrome P450, putative 0.0016 0.0071 0.0239
Schistosoma mansoni hypothetical protein 0.0168 0.3616 0.3582
Echinococcus granulosus expressed protein 0.0376 0.8457 0.8457
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0045 0.0754 0.9272
Schistosoma mansoni calcium-activated potassium channel 0.0148 0.3158 0.3122
Brugia malayi Thioredoxin reductase 0.0048 0.0809 0.0778
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0134 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0016 0.0071 0.0071
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0019 0.0149 0.0149
Echinococcus multilocularis Regulator of G protein signaling 20 0.0019 0.0149 0.0149
Brugia malayi hypothetical protein 0.0122 0.2555 0.2531
Plasmodium vivax metal transporter, putative 0.0442 1 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0015 0.0053 0.0053
Loa Loa (eye worm) RGS-3 protein 0.0019 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.0019 0.0149 0.0149
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0483 0.6145
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0488 0.5755
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0538 0.6922
Toxoplasma gondii divalent metal transporter, putative 0.0442 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0045 0.0754 0.9272
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0045 0.0754 0.0754
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0754 0.0723
Echinococcus multilocularis divalent metal transporter DMT1B 0.0442 1 1
Brugia malayi Cytochrome P450 family protein 0.0016 0.0071 0.0038
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0269 0.3078
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0345 0.7735 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0329 0.3945
Brugia malayi regulator of G-protein signaling rgs-7 0.0019 0.0149 0.0116
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0406 0.5047
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0483 0.6145
Loa Loa (eye worm) CYP4Cod1 0.0016 0.0071 0.0071
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0019 0.0149 0.1372
Leishmania major hypothetical protein, conserved 0.0034 0.0488 0.5755
Loa Loa (eye worm) hypothetical protein 0.0442 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0134 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0269 0.3078
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0149 0.0116
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0084 0.0408
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0084 0.0031
Giardia lamblia GTOR 0.0045 0.0754 0.0876
Brugia malayi A-kinase anchor protein 10, precursor 0.0019 0.0149 0.0116
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0809 0.0731
Echinococcus granulosus intermediate filament protein 0.0027 0.0323 0.0323
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0019 0.0149 0.0097
Brugia malayi glutathione reductase 0.0048 0.0809 0.0778
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0149 0.0149
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0045 0.0754 0.9272
Schistosoma mansoni calcium-activated potassium channel 0.0156 0.3335 0.33
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0084 0.0051
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0015 0.0053 0.002
Echinococcus granulosus lamin dm0 0.0027 0.0323 0.0323
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0134 0.1073
Loa Loa (eye worm) hypothetical protein 0.007 0.1335 0.1335
Schistosoma mansoni hypothetical protein 0.0156 0.3335 0.33
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0084 0.0408
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0036 0.0539 0.6429
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0134 0.0134
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0538 0.6922
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0149 0.0097
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0019 0.0149 0.0149
Echinococcus granulosus geminin 0.0168 0.3616 0.3616
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0488 0.5755
Plasmodium vivax glutathione reductase, putative 0.0048 0.0809 0.0731
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0809 1
Mycobacterium ulcerans divalent cation-transport integral membrane protein 0.0169 0.3633 0.3588
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0019 0.0149 0.0149
Trypanosoma brucei membrane transporter protein, putative 0.0034 0.0488 0.5755
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0149 0.0116
Echinococcus multilocularis small conductance calcium activated potassium 0.0156 0.3335 0.3335
Mycobacterium ulcerans manganese transport protein MntH 0.0442 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0084 0.0408

Activities

Activity type Activity value Assay description Source Reference
Animals (functional) = 20 % Animals with Ulcers in Carrageenan-induced paw edema test at a dose of 100 mg/kg perorally in rats ChEMBL. 11597401
Animals (functional) = 80 % Animals with Hyperemia in Carrageenan-induced paw edema test at a dose of 100 mg/kg perorally in rats ChEMBL. 11597401
Edema variation (functional) = -55.81 % Percent Edema variation in Carrageenan-induced paw edema test at a dose of 100 mg/kg perorally in rats after 180 min (p<0.01) ChEMBL. 11597401
Edema variation (functional) = -13.05 % Percent Edema variation in Carrageenan-induced paw edema test at a dose of 100 mg/kg perorally in rats after 120 min ChEMBL. 11597401
Edema variation (functional) = 25.6 % Percent Edema variation in Carrageenan-induced paw edema test at a dose of 100 mg/kg perorally in rats after 60 min ChEMBL. 11597401
Inhibition (functional) = 64 % Analgesic activity was determined using acetic acid writing test at a dose of 100 mg/kg perorally in rats. (p<0.01) ChEMBL. 11597401
LC50 (ADMET) > 1000 ug ml-1 Minimum concentration of the compound which causes 50% of the Artemia salina larvae to lose mobility ChEMBL. 11597401
LD50 (ADMET) > 1000 mg kg-1 Peroral dose of the compound causing 50% death of the mice population ChEMBL. 11597401
LD50 (ADMET) > 1000 mg kg-1 Peroral dose of the compound causing 50% death of the mice population ChEMBL. 11597401
No. of writhings (functional) = 7.3 Number of writhings in Acetic acid Writhing test at a dose of 100 mg/kg perorally in rats(p<0.05) ChEMBL. 11597401
Reaction time (functional) = 11 s Reaction time in Hot plate test at a dose of 100 mg/kg perorally in rats after 180 min ChEMBL. 11597401
Reaction time (functional) = 11.1 s Reaction time in Hot plate test at a dose of 100 mg/kg perorally in rats after 120 min ChEMBL. 11597401
Reaction time (functional) = 18.4 s Reaction time in Hot plate test at a dose of 100 mg/kg perorally in rats after 60 min (p<0.05) ChEMBL. 11597401

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

1 literature reference was collected for this gene.

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