Detailed information for compound 1692658

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 687.805 | Formula: C40H42FN7O3
  • H donors: 4 H acceptors: 4 LogP: 5.21 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 2
  • SMILES: NC(=N)NCCC[C@@H](C(=O)N[C@H](c1cccc2c1cccc2)C)NC(=O)c1ccc(cc1)CN(C(=O)c1ccc(cc1)F)CCc1ccncc1
  • InChi: 1S/C40H42FN7O3/c1-27(34-9-4-7-30-6-2-3-8-35(30)34)46-38(50)36(10-5-22-45-40(42)43)47-37(49)31-13-11-29(12-14-31)26-48(25-21-28-19-23-44-24-20-28)39(51)32-15-17-33(41)18-16-32/h2-4,6-9,11-20,23-24,27,36H,5,10,21-22,25-26H2,1H3,(H,46,50)(H,47,49)(H4,42,43,45)/t27-,36-/m0/s1
  • InChiKey: FSKMGQHZDVVZFD-WMELESEDSA-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
Loa Loa (eye worm) TAR-binding protein 0.0073 0.4958 0.4963
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0314 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0314 0.0177
Loa Loa (eye worm) hypothetical protein 0.0012 0.0314 0.0177
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0314 0.0177
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0015 0.0576 0.0645
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0314 0.0475
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0427 0.0775
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.01 0.696 0.8837
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0017 0.0732 0.1328
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.1073 0.0688
Schistosoma mansoni chromobox protein 0.0081 0.551 0.5485
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0142 0.016
Schistosoma mansoni hypothetical protein 0.0018 0.0808 0.0758
Entamoeba histolytica hypothetical protein 0.0042 0.2571 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.4179 1
Brugia malayi steroid hormone receptor 0.0012 0.0314 0.0177
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.1073 0.1866
Brugia malayi MH2 domain containing protein 0.0138 0.9847 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0044 0.2776 0.4989
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0314 0.0475
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0013 0.0427 0.0294
Brugia malayi Associated with TFs and helicases family protein 0.0013 0.0427 0.0294
Plasmodium falciparum thioredoxin reductase 0.0015 0.0576 0.0645
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.2839 0.5153
Entamoeba histolytica hypothetical protein 0.0042 0.2571 1
Echinococcus granulosus cpg binding protein 0.0035 0.208 0.3713
Brugia malayi Heterochromatin protein 1 0.0081 0.551 0.5531
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0314 0.0261
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0314 0.0475
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.1073 1
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0015 0.057 0.0944
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0314 0.0177
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.1073 0.1866
Schistosoma mansoni hypothetical protein 0.0018 0.0808 0.0758
Onchocerca volvulus 0.0033 0.1938 0.5832
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0198 0.0057
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0314 0.0475
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.0995 0.1805
Loa Loa (eye worm) hypothetical protein 0.0035 0.2103 0.2021
Schistosoma mansoni Smad4 0.0009 0.0142 0.0088
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0808 0.0687
Brugia malayi glutathione reductase 0.0044 0.2732 0.2669
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0427 0.0775
Plasmodium vivax thioredoxin reductase, putative 0.0044 0.2732 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0314 0.0177
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0314 0.0261
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.2571 0.4612
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0049 0.3098 1
Brugia malayi nuclear receptor NHR-88 0.0012 0.0314 0.0177
Toxoplasma gondii exonuclease III APE 0.0022 0.1073 0.1722
Schistosoma mansoni hypothetical protein 0.0039 0.2405 0.2363
Mycobacterium tuberculosis Putative ferredoxin reductase 0.01 0.696 0.8837
Trichomonas vaginalis chromobox protein, putative 0.0049 0.3098 0.5622
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0011 0.0272 0.0134
Loa Loa (eye worm) hypothetical protein 0.0012 0.0314 0.0177
Trichomonas vaginalis Heterochromatin protein, putative 0.0013 0.0427 0.0775
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0015 0.0576 0.0645
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0015 0.0576 0.0645
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.1073 0.3013
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.01 0.696 0.8837
Plasmodium falciparum glutathione reductase 0.0015 0.0576 0.0645
Echinococcus granulosus Smad4 0.0009 0.0142 0.016
Schistosoma mansoni chromobox protein 0.0013 0.0427 0.0374
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0142 0.0088
Brugia malayi Valyl-tRNA synthetase 0.0013 0.0427 0.0294
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0314 0.0177
Loa Loa (eye worm) hypothetical protein 0.0013 0.0427 0.0294
Loa Loa (eye worm) heterochromatin protein 1 0.0081 0.551 0.5531
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0111 0.78 1
Mycobacterium tuberculosis Probable dehydrogenase 0.01 0.696 0.8837
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.3781 0.375
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0013 0.0427 0.0374
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0013 0.0427 0.0683
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0808 0.0687
Trichomonas vaginalis mercuric reductase, putative 0.0015 0.0576 0.1045
Loa Loa (eye worm) hypothetical protein 0.0012 0.0314 0.0177
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0044 0.2732 0.2985
Trichomonas vaginalis chromobox protein, putative 0.0081 0.551 1
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0427 0.0775
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0207 0.028
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0142 0.016
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.3781 0.375
Entamoeba histolytica hypothetical protein 0.0042 0.2571 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0014 0.0482 0.0429
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0314 0.0261
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.1073 1
Trypanosoma brucei trypanothione reductase 0.0044 0.2732 1
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.1073 0.1947
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0314 0.0261
Schistosoma mansoni tar DNA-binding protein 0.0073 0.4958 0.493
Trichomonas vaginalis chromobox protein, putative 0.0013 0.0427 0.0775
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0314 0.0475
Trypanosoma cruzi trypanothione reductase, putative 0.0044 0.2732 1
Brugia malayi CXXC zinc finger family protein 0.0033 0.1938 0.185
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0314 0.0475
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0015 0.0576 0.0645
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0314 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0314 0.0177
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0427 0.0775
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0314 0.0261
Brugia malayi RNA binding protein 0.0073 0.4958 0.4963
Echinococcus granulosus Chromobox protein 3 0.0013 0.0427 0.0683
Onchocerca volvulus 0.0013 0.0427 0.0406
Onchocerca volvulus 0.0014 0.0482 0.0603
Loa Loa (eye worm) hypothetical protein 0.0058 0.3781 0.375
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0013 0.0427 0.0374
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0314 0.0177
Loa Loa (eye worm) hypothetical protein 0.0012 0.0314 0.0177
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0995 0.1805
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.0995 0.1805
Loa Loa (eye worm) hypothetical protein 0.0045 0.2839 0.2779
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0314 0.0475
Schistosoma mansoni mixed-lineage leukemia protein mll 0.007 0.4746 0.4717
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0314 0.0475
Schistosoma mansoni hypothetical protein 0.0018 0.0808 0.0758
Schistosoma mansoni smad1 5 8 and 0.0009 0.0142 0.0088
Schistosoma mansoni ap endonuclease 0.0022 0.1073 0.1024
Brugia malayi ecdysteroid receptor 0.0012 0.0314 0.0177
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.2571 0.253
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.1844 0.3348
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0995 0.1805
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0015 0.0576 0.0397
Onchocerca volvulus 0.0013 0.0427 0.0406
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0314 0.0475
Plasmodium vivax glutathione reductase, putative 0.0044 0.2732 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0314 0.0177
Loa Loa (eye worm) CHromoDomain protein family member 0.0015 0.057 0.0441
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0314 0.0261
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0732 0.1328
Schistosoma mansoni tar DNA-binding protein 0.0073 0.4958 0.493
Brugia malayi nuclear hormone receptor 0.0012 0.0314 0.0177
Loa Loa (eye worm) hypothetical protein 0.0013 0.0427 0.0294
Loa Loa (eye worm) hypothetical protein 0.0012 0.0314 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0314 0.0177
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.2839 0.5153
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0995 0.1805
Toxoplasma gondii thioredoxin reductase 0.0044 0.2732 0.6144
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0314 0.0177
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0015 0.0576 0.0447
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0314 0.0475
Schistosoma mansoni cpg binding protein 0.0035 0.208 0.2037
Brugia malayi hypothetical protein 0.0042 0.2571 0.2503
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.01 0.696 0.8837
Echinococcus granulosus Chromo domain 0.0013 0.0427 0.0683
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0314 0.0177
Plasmodium falciparum glutathione reductase 0.0044 0.2732 1
Echinococcus granulosus chromobox protein 1 0.0081 0.551 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0111 0.78 1
Leishmania major trypanothione reductase 0.0044 0.2732 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0314 0.0177
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0427 0.0775
Echinococcus multilocularis Smad4 0.0009 0.0142 0.016
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.2839 0.9071
Toxoplasma gondii NADPH-glutathione reductase 0.0015 0.0576 0.0397
Loa Loa (eye worm) hypothetical protein 0.0012 0.0314 0.0177
Trichomonas vaginalis glutathione reductase, putative 0.0015 0.0576 0.1045
Echinococcus multilocularis chromobox protein 1 0.0081 0.551 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.1073 0.2802
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0427 0.0775
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0314 0.0261
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0015 0.0576 0.0524
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.1073 0.1947
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0011 0.0272 0.0134
Echinococcus multilocularis chromobox protein 2 0.0013 0.0427 0.0683
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0314 0.0177
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.2405 0.2332
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0015 0.057 0.0944
Loa Loa (eye worm) helicase 0.0013 0.0427 0.0294
Brugia malayi hypothetical protein 0.0013 0.0427 0.0294
Loa Loa (eye worm) thioredoxin reductase 0.0044 0.2732 0.2669
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0314 0.0261
Schistosoma mansoni smad1 5 8 and 0.0009 0.0142 0.0088
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0427 0.0775
Schistosoma mansoni tar DNA-binding protein 0.0073 0.4958 0.493
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0314 0.0177
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.1073 0.2802
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.3781 0.375
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0015 0.0576 0.0955
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0314 0.0475
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0013 0.0427 0.0374
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0314 0.0475
Schistosoma mansoni cpg binding protein 0.0033 0.1938 0.1893
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.1073 0.2305
Brugia malayi CHD4 protein 0.0015 0.057 0.0441
Trichomonas vaginalis chromobox protein, putative 0.0049 0.3098 0.5622
Brugia malayi Thioredoxin reductase 0.0044 0.2732 0.2669
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.1073 0.0959
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0314 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0314 0.0177
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.1938 0.185
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0314 0.0475
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.1844 0.3348
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0314 0.0177
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0111 0.78 1
Brugia malayi chromobox protein homolog 3 0.0045 0.2839 0.2779
Echinococcus granulosus smad 0.0009 0.0142 0.016
Echinococcus granulosus GPCR family 2 0.0018 0.0808 0.1381
Schistosoma mansoni tar DNA-binding protein 0.0073 0.4958 0.493
Schistosoma mansoni coup transcription factor 0.0012 0.0314 0.0261
Loa Loa (eye worm) histone methyltransferase 0.001 0.0207 0.0068
Schistosoma mansoni cpg binding protein 0.0035 0.208 0.2037
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0314 0.0475
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.1073 0.2305
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0314 0.0261
Echinococcus granulosus tar DNA binding protein 0.0073 0.4958 0.8989
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0808 0.1381
Brugia malayi TAR-binding protein 0.0073 0.4958 0.4963
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0808 0.0687
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0808 0.1381
Echinococcus multilocularis tar DNA binding protein 0.0073 0.4958 0.8989
Echinococcus multilocularis cpg binding protein 0.0035 0.208 0.3713
Loa Loa (eye worm) glutathione reductase 0.0044 0.2732 0.2669
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0314 0.0177
Onchocerca volvulus 0.0035 0.2103 0.6427
Schistosoma mansoni hypothetical protein 0.0018 0.0808 0.0758
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0207 0.028
Loa Loa (eye worm) hypothetical protein 0.0013 0.0427 0.0294
Trichomonas vaginalis chromobox protein, putative 0.0013 0.0427 0.0775
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0427 0.0775
Schistosoma mansoni smad 0.0009 0.0142 0.0088
Schistosoma mansoni hypothetical protein 0.0013 0.0427 0.0374
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0808 0.1381
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.9847 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0427 0.0775
Echinococcus multilocularis Chromo domain 0.0013 0.0427 0.0683
Schistosoma mansoni hypothetical protein 0.0042 0.2571 0.253
Trichomonas vaginalis chromobox protein, putative 0.0013 0.0427 0.0775
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.1073 1
Loa Loa (eye worm) RNA binding protein 0.0073 0.4958 0.4963
Mycobacterium tuberculosis Probable reductase 0.01 0.696 0.8837
Loa Loa (eye worm) hypothetical protein 0.0013 0.0427 0.0294
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0427 0.0775
Loa Loa (eye worm) hypothetical protein 0.0039 0.2405 0.2332
Trichomonas vaginalis chromobox protein, putative 0.0081 0.551 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0314 0.0475
Brugia malayi SET domain containing protein 0.0014 0.0482 0.035
Plasmodium falciparum thioredoxin reductase 0.0044 0.2732 1
Echinococcus multilocularis Chromobox protein 3 0.0013 0.0427 0.0683
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0314 0.0177
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0111 0.78 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.2571 0.4612
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0013 0.0427 0.0683
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0015 0.0576 0.0955
Echinococcus granulosus chromobox protein 2 0.0013 0.0427 0.0683
Schistosoma mansoni chromobox protein 0.0081 0.551 0.5485
Schistosoma mansoni smad1 5 8 and 0.0009 0.0142 0.0088
Schistosoma mansoni ap endonuclease 0.0022 0.1073 0.1024
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.1073 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0995 0.1805
Brugia malayi M-phase phosphoprotein, mpp8 0.0013 0.0427 0.0294
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0015 0.057 0.0518
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0314 0.0177
Echinococcus granulosus chromobox protein 1 0.0081 0.551 1
Brugia malayi Protein cec-1. 0.0013 0.0427 0.0294
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.4958 0.4963
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0808 0.1381
Echinococcus multilocularis GPCR, family 2 0.0018 0.0808 0.1381
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.1073 0.2305
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0142 0.016
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0314 0.0475
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0314 0.0177
Echinococcus multilocularis smad 0.0009 0.0142 0.016
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0314 0.0261
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0015 0.0576 0.5
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0142 0.016
Loa Loa (eye worm) hypothetical protein 0.0018 0.0808 0.0687
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.1073 0.2305
Loa Loa (eye worm) hypothetical protein 0.0013 0.0427 0.0294
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0314 0.0261
Echinococcus multilocularis chromobox protein 1 0.0081 0.551 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0314 0.0261
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.9847 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0995 0.1805
Trichomonas vaginalis hypothetical protein 0.0013 0.0427 0.0775
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0314 0.0475
Schistosoma mansoni tar DNA-binding protein 0.0073 0.4958 0.493
Loa Loa (eye worm) hypothetical protein 0.0013 0.0427 0.0294
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0314 0.0177
Schistosoma mansoni chromobox protein 0.0013 0.0427 0.0374
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0314 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0314 0.0177
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.4958 0.4963
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0427 0.0775
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0995 0.1805
Loa Loa (eye worm) hypothetical protein 0.0013 0.0427 0.0294
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0314 0.0475
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.1073 0.0959
Entamoeba histolytica hypothetical protein 0.0042 0.2571 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0044 0.2776 0.4989
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.069 0.1253

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) = 47 uM Cytotoxicity against human MT4 cells assessed as reduction of cell viability ChEMBL. 22579418
Inhibition (binding) = 25 % Displacement of [125I]-CXCL12 from CXCR4 expressed in human Jurkat cells at 10 uM relative to T140 ChEMBL. 22579418

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.