Detailed information for compound 1614042

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 671.834 | Formula: C32H44F3N3O5S2
  • H donors: 0 H acceptors: 5 LogP: 4.76 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CCC(c1ccccc1)C1CCN(CC1)S(=O)(=O)CC(F)(F)F
  • InChi: 1S/C32H44F3N3O5S2/c1-3-38(31(39)23-25-9-11-29(12-10-25)44(2,40)41)28-15-18-36(19-16-28)20-17-30(26-7-5-4-6-8-26)27-13-21-37(22-14-27)45(42,43)24-32(33,34)35/h4-12,27-28,30H,3,13-24H2,1-2H3
  • InChiKey: YMVUDXXJWGJTPG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chemokine (C-C motif) receptor 2 Starlite/ChEMBL References

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 Zinc finger, RanBP2 type 0.029 0.1379 0.1379
Echinococcus granulosus voltage gated potassium channel 0.0022 0.0043 0.0043
Echinococcus granulosus microtubule associated protein 2 0.1397 0.6888 0.6888
Loa Loa (eye worm) hypothetical protein 0.0037 0.0119 0.0298
Plasmodium vivax hypothetical protein, conserved 0.0815 0.3993 1
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Schistosoma mansoni voltage-gated potassium channel 0.0081 0.034 0.048
Schistosoma mansoni hypothetical protein 0.0068 0.0273 0.0383
Onchocerca volvulus 0.029 0.1379 0.3438
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0015 0.0009 0.0009
Schistosoma mansoni smad1 5 8 and 0.0024 0.0058 0.007
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0007 0.0018
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Echinococcus multilocularis GPCR, family 2 0.0031 0.0092 0.0092
Echinococcus granulosus RING finger and transmembrane domain containing protein 0.0015 0.001 0.001
Schistosoma mansoni hypothetical protein 0.0048 0.0174 0.0239
Brugia malayi Pre-SET motif family protein 0.0419 0.2022 0.506
Mycobacterium ulcerans beta-lactamase 0.0037 0.0119 0.4193
Echinococcus granulosus ring and YY1 binding protein 0.029 0.1379 0.1379
Echinococcus multilocularis neuropeptide s receptor 0.0475 0.2301 0.2301
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0116 0.0116
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0028 0.011
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0119 0.0943
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0119 0.4193
Trypanosoma brucei hypothetical protein, conserved 0.029 0.1379 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0017 0.0019 0.0019
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0119 0.0943
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0815 0.3993 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0066 0.0165
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0092 0.0092
Onchocerca volvulus 0.029 0.1379 0.3438
Brugia malayi MH1 domain containing protein 0.0024 0.0058 0.0136
Echinococcus granulosus RING finger protein 185 0.0015 0.001 0.001
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0043 0.0049
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0015 0.001 0.002
Trypanosoma cruzi cytochrome P450, putative 0.0025 0.0061 0.0374
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Echinococcus multilocularis RING finger and transmembrane domain containing protein 0.0015 0.001 0.001
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0062 0.0131
Onchocerca volvulus 0.0058 0.0225 0.054
Echinococcus granulosus ring finger protein 170 0.0015 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0234 0.11 0.2755
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0016 0.0017
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0028 0.0138
Brugia malayi RING zinc finger protein 0.0015 0.001 0.0016
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0028 0.0028
Trichomonas vaginalis conserved hypothetical protein 0.0815 0.3993 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0024
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.0429 0.1074
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0016 0.0017
Onchocerca volvulus 0.0296 0.1409 0.3514
Echinococcus granulosus Smad4 0.0024 0.0058 0.0058
Onchocerca volvulus 0.0037 0.0119 0.0275
Loa Loa (eye worm) MH2 domain-containing protein 0.0024 0.0058 0.0144
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0024
Trichomonas vaginalis cell cycle control protein cwf24, putative 0.0015 0.001 0.002
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0036 0.0036
Toxoplasma gondii ABC1 family protein 0.0037 0.0119 0.0275
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0062 0.0382
Echinococcus multilocularis mothers against decapentaplegic 5 0.0024 0.0058 0.0058
Toxoplasma gondii histone lysine methyltransferase SET1 0.0112 0.0494 0.1215
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0016 0.0033
Trichomonas vaginalis esterase, putative 0.0037 0.0119 0.0295
Leishmania major hypothetical protein, conserved 0.029 0.1379 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0025 0.0061 0.1497
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.029 0.1379 0.3438
Echinococcus multilocularis geminin 0.0173 0.0798 0.0798
Schistosoma mansoni microtubule-associated protein tau 0.1397 0.6888 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.0429 0.1074
Loa Loa (eye worm) hypothetical protein 0.0037 0.0119 0.0298
Echinococcus granulosus intermediate filament protein 0.0027 0.0068 0.0068
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0074 0.0306 0.0758
Echinococcus granulosus GPCR family 2 0.0031 0.0092 0.0092
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0074 0.0306 0.0765
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0241 0.0336
Plasmodium vivax SET domain protein, putative 0.0061 0.0241 0.058
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0028 0.1779
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0069 0.0281 0.0701
Schistosoma mansoni hypothetical protein 0.0815 0.3993 0.5791
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0061 0.0152
Trypanosoma cruzi WLM domain containing protein, putative 0.029 0.1379 1
Brugia malayi isocitrate dehydrogenase 0.0016 0.0016 0.0033
Brugia malayi hypothetical protein 0.0304 0.1448 0.3621
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0016 0.0016
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0119 0.0295
Entamoeba histolytica hypothetical protein 0.0036 0.0116 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0024
Brugia malayi brahma associated protein 60 kDa 0.0815 0.3993 1
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0092 0.0092
Loa Loa (eye worm) RING finger protein 20 0.0015 0.001 0.0024
Onchocerca volvulus 0.0477 0.2309 0.5773
Loa Loa (eye worm) hypothetical protein 0.0304 0.1448 0.3627
Schistosoma mansoni survival motor neuron protein 0.0048 0.0174 0.0239
Loa Loa (eye worm) hypothetical protein 0.029 0.1379 0.3454
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0028 0.0028
Loa Loa (eye worm) RiNg Finger protein family member 0.0015 0.001 0.0024
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Toxoplasma gondii exonuclease III APE 0.0019 0.0028 0.0047
Brugia malayi Hypothetical RING finger protein C16C10.7 in chromosome III 0.0015 0.001 0.0016
Schistosoma mansoni hypothetical protein 0.0031 0.0092 0.012
Loa Loa (eye worm) CXXC zinc finger family protein 0.0058 0.0225 0.0563
Echinococcus multilocularis neuropeptide receptor A26 0.0475 0.2301 0.2301
Loa Loa (eye worm) hypothetical protein 0.0027 0.0068 0.0172
Onchocerca volvulus 0.0061 0.0241 0.058
Echinococcus granulosus hyperpolarization activated cyclic 0.0015 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0122 0.0544 0.1363
Leishmania major hypothetical protein, conserved 0.029 0.1379 1
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Echinococcus multilocularis RING finger protein 185 0.0015 0.001 0.001
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0119 0.0943
Brugia malayi SWIB/MDM2 domain containing protein 0.0815 0.3993 1
Brugia malayi brahma associated protein 60 kDa 0.0815 0.3993 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0119 0.0298
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0024 0.0058 0.007
Trichomonas vaginalis sex-determining protein fem-1, putative 0.0015 0.001 0.002
Schistosoma mansoni lamin 0.0027 0.0068 0.0086
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Trichomonas vaginalis ankyrin 2,3/unc44, putative 0.0015 0.001 0.002
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0174 0.0427
Echinococcus multilocularis ring finger protein 113a 0.0015 0.001 0.001
Brugia malayi hypothetical protein 0.0015 0.001 0.0016
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Onchocerca volvulus 0.0037 0.0119 0.0275
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0119 0.08
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Trypanosoma cruzi WLM domain containing protein, putative 0.029 0.1379 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0028 0.0071
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0815 0.3993 1
Schistosoma mansoni cpg binding protein 0.0058 0.0225 0.0313
Entamoeba histolytica hypothetical protein 0.0036 0.0116 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.029 0.1379 0.3449
Brugia malayi beta-lactamase 0.0037 0.0119 0.029
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0035 0.008
Schistosoma mansoni hypothetical protein 0.029 0.1379 0.1992
Echinococcus multilocularis microtubule associated protein 2 0.1397 0.6888 0.6888
Schistosoma mansoni Smad4 0.0024 0.0058 0.007
Loa Loa (eye worm) beta-lactamase 0.0037 0.0119 0.0298
Trichomonas vaginalis ubiquitin-protein ligase BRE1, putative 0.0015 0.001 0.002
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0036 0.0036
Brugia malayi CXXC zinc finger family protein 0.0058 0.0225 0.0555
Loa Loa (eye worm) Smad1 0.0024 0.0058 0.0144
Leishmania major hypothetical protein, conserved 0.0015 0.001 0.000000091215
Brugia malayi hypothetical protein 0.0036 0.0116 0.0282
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0119 0.4193
Echinococcus multilocularis hyperpolarization activated cyclic 0.0015 0.0009 0.0009
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0016 0.0017
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0119 0.08
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0815 0.3993 1
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0061 0.0241 0.0241
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0119 0.0943
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.029 0.1379 0.3438
Trichomonas vaginalis ankyrin, putative 0.0015 0.001 0.002
Loa Loa (eye worm) MH2 domain-containing protein 0.0358 0.1718 0.4303
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0061 0.0241 0.0241
Brugia malayi hypothetical protein 0.0122 0.0544 0.1356
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Brugia malayi Pre-SET motif family protein 0.0061 0.0241 0.0595
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.0223 0.0223
Schistosoma mansoni smad1 5 8 and 0.0024 0.0058 0.007
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0062 0.0131
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0245 0.0342
Echinococcus multilocularis ring finger protein 170 0.0015 0.001 0.001
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0119 0.0275
Onchocerca volvulus 0.0815 0.3993 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0028 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0815 0.3993 1
Echinococcus multilocularis E3 ubiquitin protein ligase mib1 0.0015 0.001 0.001
Toxoplasma gondii ran binding protein 0.029 0.1379 0.3438
Onchocerca volvulus Huntingtin homolog 0.0122 0.0544 0.1342
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.029 0.1379 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.029 0.1379 0.3449
Giardia lamblia Kinase, NEK 0.0015 0.001 0.0000066177
Brugia malayi B-box zinc finger family protein 0.0015 0.001 0.0016
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0419 0.2022 0.5064
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.029 0.1379 1
Onchocerca volvulus 0.0037 0.0119 0.0275
Echinococcus granulosus hyperpolarization activated cyclic 0.0015 0.0009 0.0009
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0062 0.0131
Brugia malayi MH2 domain containing protein 0.0358 0.1718 0.4299
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0119 0.0295
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0016 0.0016
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.029 0.1379 0.3449
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Onchocerca volvulus 0.0048 0.0174 0.0412
Brugia malayi hypothetical protein 0.0016 0.0017 0.0035
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0119 0.0119
Brugia malayi hypothetical protein 0.0025 0.0062 0.0147
Echinococcus multilocularis lamin dm0 0.0027 0.0068 0.0068
Echinococcus granulosus cpg binding protein 0.0061 0.0241 0.0241
Echinococcus multilocularis 0.0015 0.001 0.001
Echinococcus multilocularis SWI:SNF matrix associated 0.0815 0.3993 0.3993
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0119 0.0295
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0119 0.0295
Schistosoma mansoni hypothetical protein 0.0173 0.0798 0.1146
Echinococcus multilocularis survival motor neuron protein 1 0.0234 0.11 0.11
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0016 0.0016
Giardia lamblia Ser/Thr protein kinase 0.0015 0.001 0.0000066177
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0068 0.0172
Mycobacterium leprae Probable lipase LipE 0.0037 0.0119 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0009 0.0023
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0069 0.0281 0.0701
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0017 0.0019 0.0019
Schistosoma mansoni hypothetical protein 0.0815 0.3993 0.5791
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0119 0.0295
Echinococcus granulosus neuropeptide receptor A26 0.0475 0.2301 0.2301
Brugia malayi Smad1 0.0024 0.0058 0.0136
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0119 0.016
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0024
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0116 0.0116
Echinococcus multilocularis cpg binding protein 0.0061 0.0241 0.0241
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Echinococcus granulosus E3 ubiquitin protein ligase MYLIP 0.0015 0.001 0.001
Brugia malayi Zinc finger, C2H2 type family protein 0.0015 0.001 0.0016
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0119 0.0119
Loa Loa (eye worm) hypothetical protein 0.0296 0.1409 0.3529
Entamoeba histolytica hypothetical protein 0.0036 0.0116 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0015 0.0009 0.0009
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Echinococcus granulosus TGF beta signal transducer SmadC 0.0024 0.0058 0.0058
Loa Loa (eye worm) MH1 domain-containing protein 0.0024 0.0058 0.0144
Echinococcus granulosus cell growth regulator with ring finger domain 0.0015 0.001 0.001
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0028 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0062 0.0382
Echinococcus multilocularis SWI:SNF matrix associated 0.0815 0.3993 0.3993
Echinococcus multilocularis dnaJ subfamily B 0.0825 0.4045 0.4045
Echinococcus granulosus E3 ubiquitin protein ligase LRSAM1 0.0015 0.001 0.001
Brugia malayi hypothetical protein 0.0015 0.001 0.0016
Brugia malayi RING finger protein 20 0.0015 0.001 0.0016
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Schistosoma mansoni intermediate filament proteins 0.0027 0.0068 0.0086
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0015 0.001 0.002
Mycobacterium ulcerans hypothetical protein 0.0037 0.0119 0.4193
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0092 0.0092
Echinococcus granulosus SWI:SNF matrix associated 0.0815 0.3993 0.3993
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0016 0.0017
Leishmania major hypothetical protein, conserved 0.029 0.1379 1
Trypanosoma cruzi hypothetical protein, conserved 0.029 0.1379 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0092 0.023
Trichomonas vaginalis ubiquitin-protein ligase BRE1, putative 0.0015 0.001 0.002
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Schistosoma mansoni hypothetical protein 0.0031 0.0092 0.012
Echinococcus granulosus Nuclear pore complex protein Nup153 0.029 0.1379 0.1379
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0016 0.001
Schistosoma mansoni zinc finger protein 0.029 0.1379 0.1992
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0008
Echinococcus multilocularis E3 ubiquitin protein ligase MYLIP 0.0015 0.001 0.001
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0028 0.0138
Echinococcus multilocularis E3 ubiquitin protein ligase Bre1 0.0015 0.001 0.001
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0092 0.0222
Schistosoma mansoni cellular tumor antigen P53 0.0296 0.1409 0.2035
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0015 0.0009 0.0019
Schistosoma mansoni RNA binding protein 0.029 0.1379 0.1992
Trypanosoma brucei hypothetical protein, conserved 0.029 0.1379 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0828 0.4058 0.4058
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0815 0.3993 0.3993
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0092 0.0092
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0245 0.2097
Onchocerca volvulus 0.0027 0.0068 0.0148
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Mycobacterium tuberculosis Conserved protein 0.0037 0.0119 0.0943
Echinococcus multilocularis zinc finger protein Ran binding 0.029 0.1379 0.1379
Brugia malayi hypothetical protein 0.0015 0.001 0.0016
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0028 0.0063
Schistosoma mansoni hypothetical protein 0.0031 0.0092 0.012
Brugia malayi Cytochrome P450 family protein 0.0025 0.0061 0.0144
Echinococcus multilocularis musashi 0.0027 0.0068 0.0068
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0028 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0024 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0024
Echinococcus granulosus ring finger protein 113a 0.0015 0.001 0.001
Brugia malayi Cytochrome P450 family protein 0.0025 0.0061 0.0144
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0074 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0024
Loa Loa (eye worm) hypothetical protein 0.0037 0.0119 0.0298
Loa Loa (eye worm) hypothetical protein 0.029 0.1379 0.3454
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0024
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0125 0.0559 0.0799
Schistosoma mansoni hypothetical protein 0.0815 0.3993 0.5791
Schistosoma mansoni hypothetical protein 0.0036 0.0116 0.0155
Mycobacterium ulcerans lipase LipD 0.0037 0.0119 0.4193
Echinococcus granulosus histone lysine methyltransferase setb 0.0061 0.0241 0.0241
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.0429 0.1067
Trichomonas vaginalis set domain proteins, putative 0.0477 0.2309 0.5782
Leishmania major hypothetical protein, conserved 0.0025 0.0062 0.0382
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0119 0.016
Trypanosoma cruzi cytochrome P450, putative 0.0025 0.0061 0.0374
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0062 0.0131
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0043 0.0049
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.029 0.1379 1
Echinococcus granulosus Zinc finger RanBP2 type 0.029 0.1379 0.1379
Loa Loa (eye worm) hypothetical protein 0.0064 0.0257 0.0643
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0815 0.3993 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0061 0.0241 0.058
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0022 0.0043 0.0043
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0015 0.0009 0.0009
Loa Loa (eye worm) CYP4Cod1 0.0025 0.0061 0.0152
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0022 0.0043 0.01
Loa Loa (eye worm) hypothetical protein 0.0037 0.0119 0.0298
Echinococcus granulosus lamin dm0 0.0027 0.0068 0.0068
Brugia malayi Neuralized family protein 0.0015 0.001 0.0016
Trichomonas vaginalis ubiquitin-protein ligase BRE1, putative 0.0015 0.001 0.002
Mycobacterium tuberculosis Conserved protein 0.0037 0.0119 0.0943
Schistosoma mansoni hypothetical protein 0.0173 0.0798 0.1146
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0015 0.0009 0.0023
Echinococcus multilocularis ring and YY1 binding protein 0.029 0.1379 0.1379
Brugia malayi beta-lactamase family protein 0.0037 0.0119 0.029
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Echinococcus granulosus E3 ubiquitin protein ligase mib1 0.0015 0.001 0.001
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0016 0.0016
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Schistosoma mansoni hypothetical protein 0.0825 0.4045 0.5867
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0119 0.0943
Schistosoma mansoni ap endonuclease 0.0019 0.0028 0.0028
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.029 0.1379 1
Schistosoma mansoni hypothetical protein 0.0031 0.0092 0.012
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0015 0.0009 0.0009
Chlamydia trachomatis SWIB complex protein 0.0815 0.3993 0.5
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0119 0.5
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.029 0.1379 0.1379
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Echinococcus granulosus smad 0.0024 0.0058 0.0058
Echinococcus granulosus neuropeptide s receptor 0.0475 0.2301 0.2301
Echinococcus granulosus E3 ubiquitin protein ligase RNF146 0.0015 0.001 0.001
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Trichomonas vaginalis hypothetical protein 0.0015 0.001 0.002
Leishmania major hypothetical protein, conserved 0.0037 0.0119 0.08
Brugia malayi hypothetical protein 0.0015 0.001 0.0016
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.029 0.1379 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.029 0.1379 1
Brugia malayi beta-lactamase family protein 0.0037 0.0119 0.029
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0015 0.0009 0.0009
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0015 0.0009 0.0009
Onchocerca volvulus 0.0027 0.0068 0.0148
Loa Loa (eye worm) hypothetical protein 0.0061 0.0241 0.0603
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0245 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0241 0.0336
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0119 0.0943
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0116 0.0155
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Echinococcus multilocularis smad 0.0024 0.0058 0.0058
Brugia malayi hypothetical protein 0.0015 0.001 0.0016
Echinococcus multilocularis hyperpolarization activated cyclic 0.0015 0.0009 0.0009
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.029 0.1379 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0062 0.0155
Onchocerca volvulus 0.029 0.1379 0.3438
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0016 0.0016
Brugia malayi hypothetical protein 0.0015 0.001 0.0016
Loa Loa (eye worm) nuclear factor I 0.0013 0.0003 0.0008
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Echinococcus granulosus geminin 0.0173 0.0798 0.0798
Echinococcus granulosus survival motor neuron protein 1 0.0234 0.11 0.11
Trypanosoma cruzi hypothetical protein, conserved 0.029 0.1379 1
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0119 0.0943
Echinococcus granulosus mixed lineage leukemia protein mll 0.0017 0.0019 0.0019
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0245 0.0591
Loa Loa (eye worm) hypothetical protein 0.0037 0.0119 0.0298
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0061 0.0152
Chlamydia trachomatis DNA topoisomerase I 0.0815 0.3993 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0081 0.034 0.048
Loa Loa (eye worm) transcription factor SMAD2 0.0358 0.1718 0.4303
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Schistosoma mansoni TRABID protein (C64 family) 0.029 0.1379 0.1992
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0119 0.029
Onchocerca volvulus Huntingtin homolog 0.0122 0.0544 0.1342
Entamoeba histolytica hypothetical protein 0.0036 0.0116 1
Onchocerca volvulus 0.029 0.1379 0.3438
Loa Loa (eye worm) hypothetical protein 0.0122 0.0544 0.1363
Loa Loa (eye worm) hypothetical protein 0.0018 0.0025 0.0062
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0068 0.0163
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0007 0.0009
Echinococcus multilocularis voltage gated potassium channel 0.0022 0.0043 0.0043
Brugia malayi MH2 domain containing protein 0.0024 0.0058 0.0136
Schistosoma mansoni smad1 5 8 and 0.0024 0.0058 0.007
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0017 0.0019 0.0014
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0022 0.0043 0.0043
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0119 0.0298
Trichomonas vaginalis ankyrin, putative 0.0015 0.001 0.002
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0245 0.0245
Brugia malayi MH2 domain containing protein 0.0024 0.0058 0.0136
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Loa Loa (eye worm) hypothetical protein 0.0031 0.0092 0.023
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0061 0.0241 0.0336
Echinococcus multilocularis SWI:SNF matrix associated 0.0815 0.3993 0.3993
Schistosoma mansoni cpg binding protein 0.0061 0.0241 0.0337
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.029 0.1379 0.3449
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0015 0.0009 0.0019
Trypanosoma brucei cytochrome P450, putative 0.0025 0.0061 0.0374
Schistosoma mansoni fusion 0.029 0.1379 0.1992
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0245 1
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0245 0.0342
Echinococcus granulosus dnaJ subfamily B 0.0825 0.4045 0.4045
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0016 0.0041
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0024
Schistosoma mansoni cpg binding protein 0.0061 0.0241 0.0337
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0028 0.0047
Echinococcus granulosus lamin 0.0027 0.0068 0.0068
Trichomonas vaginalis ankyrin repeat domain protein, putative 0.0015 0.001 0.002
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0016 0.0016
Echinococcus multilocularis Smad4 0.0024 0.0058 0.0058
Brugia malayi intermediate filament protein 0.0027 0.0068 0.0163
Leishmania major hypothetical protein, conserved 0.029 0.1379 1
Schistosoma mansoni lamin 0.0027 0.0068 0.0086
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0074 0.0306 0.0306
Schistosoma mansoni brg-1 associated factor 0.0815 0.3993 0.5791
Brugia malayi Zinc finger protein 183 homolog 0.0015 0.001 0.0016
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0092 0.0222
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Trichomonas vaginalis ion channel nompc, putative 0.0015 0.001 0.002
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0028 0.0138
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0245 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0028 0.0047
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0028 0.0067
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0024 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0024
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0241 0.0336
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0273 0.0676
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0815 0.3993 0.3993
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0016 0.005
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0017 0.0019 0.0019
Echinococcus multilocularis E3 ubiquitin protein ligase LRSAM1 0.0015 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0024
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Brugia malayi Cyclic-nucleotide gated cation channel 0.0015 0.0009 0.0015
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0815 0.3993 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0016 0.005
Brugia malayi MH1 domain containing protein 0.0024 0.0058 0.0136
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.029 0.1379 0.3438
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0015 0.0009 0.0009
Brugia malayi hypothetical protein 0.0234 0.11 0.2749
Echinococcus multilocularis lamin 0.0027 0.0068 0.0068
Trichomonas vaginalis ankyrin, putative 0.0015 0.001 0.002
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0028 0.0067
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0028 0.0138
Brugia malayi YY1-associated factor 2 0.029 0.1379 0.3449
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0119 0.08
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.1105 1
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0068 0.0172
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0016 0.005
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0245 0.0245
Loa Loa (eye worm) hypothetical protein 0.029 0.1379 0.3454
Giardia lamblia Protein 21.1 0.0015 0.001 0.0000066177
Schistosoma mansoni smad 0.0024 0.0058 0.007
Leishmania major hypothetical protein, conserved 0.029 0.1379 1
Echinococcus granulosus zinc finger protein Ran binding 0.029 0.1379 0.1379
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0015 0.001 0.002
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0016 0.005
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0016 0.005
Leishmania major cytochrome p450-like protein 0.0025 0.0061 0.0374
Onchocerca volvulus 0.0304 0.1448 0.3611
Loa Loa (eye worm) histone methyltransferase 0.002 0.0036 0.0091
Schistosoma mansoni ap endonuclease 0.0019 0.0028 0.0028
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0015 0.0009 0.0023
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0245 0.1718
Loa Loa (eye worm) brahma associated protein 0.0815 0.3993 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.0119 0.0943
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.0429 0.1067
Echinococcus granulosus E3 ubiquitin protein ligase Bre1 0.0015 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.029 0.1379 0.3454
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.001 0.002
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0062 0.0382
Loa Loa (eye worm) hypothetical protein 0.0022 0.0043 0.0108
Loa Loa (eye worm) hypothetical protein 0.0068 0.0273 0.0684
Trypanosoma cruzi hypothetical protein, conserved 0.029 0.1379 1
Loa Loa (eye worm) hypothetical protein 0.029 0.1379 0.3454

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Displacement of 3,7-Bis[2-(4-nitro[3,5-3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3 hrs ChEMBL. 22266038
IC50 (binding) = 5.4 nM Displacement of [125I]MIP-1alpha from human recombinant CCR5 expressed in CHO cells ChEMBL. 22266038

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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