Detailed information for compound 35618

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 647.728 | Formula: C38H51BrN2O2
  • H donors: 0 H acceptors: 1 LogP: 9.83 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: C=CCO[C@H]([C@@H]1C[C@@H]2CC[N+]1(C[C@@H]2C=C)Cc1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)c1ccnc2c1cccc2.[Br-]
  • InChi: 1S/C38H51N2O2.BrH/c1-10-20-42-35(30-16-18-39-33-15-13-12-14-29(30)33)34-23-28-17-19-40(34,25-27(28)11-2)24-26-21-31(37(3,4)5)36(41-9)32(22-26)38(6,7)8;/h10-16,18,21-22,27-28,34-35H,1-2,17,19-20,23-25H2,3-9H3;1H/q+1;/p-1/t27-,28-,34-,35+,40+;/m0./s1
  • InChiKey: RSMKONSAENMOEX-GBZAYQMCSA-M  


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 vivax flap endonuclease 1, putative 0.0026 0.0092 0.093
Echinococcus granulosus methyl CpG binding domain protein 2 0.0036 0.0205 0.0194
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0074 0.0657 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0646 0.3524
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0021 0.0028 0.0032
Loa Loa (eye worm) kinesin-like protein KLP2 0.0053 0.041 0.1024
Trypanosoma cruzi ISWI complex protein 0.0032 0.0161 0.2144
Loa Loa (eye worm) hypothetical protein 0.0199 0.2133 0.5323
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0034 0.0084
Mycobacterium ulcerans lipase LipD 0.0073 0.0646 0.9059
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0011 0.0027
Loa Loa (eye worm) hypothetical protein 0.0027 0.0095 0.0237
Loa Loa (eye worm) hypothetical protein 0.015 0.1546 0.3858
Schistosoma mansoni hypothetical protein 0.0063 0.0524 0.0524
Schistosoma mansoni hypothetical protein 0.0044 0.0294 0.0294
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0079 0.0712 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0021 0.0028 0.0032
Entamoeba histolytica Flap nuclease, putative 0.0026 0.0092 0.088
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0024 0.0067 0.0056
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0318 0.0318
Toxoplasma gondii IMP dehydrogenas 0.0079 0.0712 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.0524 0.0513
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0274 0.1458
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0092 0.0937
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0021 0.0028 0.0032
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.0932 0.2325
Schistosoma mansoni flap endonuclease-1 0.0024 0.0062 0.0062
Echinococcus multilocularis tar DNA binding protein 0.0248 0.2704 0.2696
Mycobacterium leprae Probable lipase LipE 0.0073 0.0646 0.9036
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0021 0.0028 0.0241
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0021 0.0028 0.0032
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0021 0.0028 0.0032
Loa Loa (eye worm) hypothetical protein 0.0073 0.0646 0.1612
Trypanosoma brucei cytochrome P450, putative 0.003 0.0131 0.1714
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0803 0.9274 0.9274
Brugia malayi GMP reductase 0.0033 0.0167 0.0416
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0079 0.0712 1
Schistosoma mansoni hypothetical protein 0.0136 0.1388 0.1388
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0092 0.0081
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0646 0.3524
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0074 0.0657 1
Brugia malayi Flap endonuclease-1 0.0026 0.0092 0.0229
Echinococcus multilocularis kinesin family 1 0.0411 0.4642 0.4636
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0079 0.0712 1
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0041 0.0269 0.3524
Schistosoma mansoni methyl-cpg binding protein mbd 0.0036 0.0205 0.0205
Loa Loa (eye worm) hypothetical protein 0.0081 0.0737 0.184
Giardia lamblia Kinesin-5 0.0053 0.041 1
Brugia malayi hypothetical protein 0.0027 0.0095 0.0237
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0021 0.0028 0.0032
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0074 0.0657 0.921
Loa Loa (eye worm) hypothetical protein 0.0036 0.0205 0.0511
Schistosoma mansoni bromodomain containing protein 0.0134 0.136 0.136
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0073 0.0646 0.1197
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0021 0.0028 0.0241
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0092 0.1156
Schistosoma mansoni cytochrome P450 0.0021 0.0028 0.0028
Onchocerca volvulus Putative GMP reductase 0.0033 0.0167 0.2579
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.0932 0.0922
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0021 0.0028 0.0241
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.006 0.0272
Brugia malayi TAR-binding protein 0.0248 0.2704 0.6748
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0318 0.0794
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0021 0.0028 0.0241
Brugia malayi MH2 domain containing protein 0.0024 0.0067 0.0167
Toxoplasma gondii ABC1 family protein 0.0073 0.0646 0.9036
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0318 0.0318
Schistosoma mansoni methyl-cpg binding protein mbd 0.0036 0.0205 0.0205
Echinococcus multilocularis GPCR, family 2 0.0063 0.0524 0.0513
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0073 0.0646 0.1612
Echinococcus multilocularis protein patched 0.0042 0.0274 0.0263
Echinococcus granulosus snurportin 1 0.0313 0.3478 0.3471
Plasmodium falciparum importin beta, putative 0.0029 0.0125 0.1469
Echinococcus granulosus GPCR family 2 0.0063 0.0524 0.0513
Loa Loa (eye worm) MH2 domain-containing protein 0.0024 0.0067 0.0167
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0318 0.0318
Schistosoma mansoni kinesin eg-5 0.0053 0.041 0.041
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.0949 0.0949
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0205 0.0194
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0021 0.0028 0.0241
Echinococcus multilocularis microtubule associated protein 2 0.0667 0.7658 0.7655
Schistosoma mansoni tar DNA-binding protein 0.0248 0.2704 0.2704
Echinococcus multilocularis expressed conserved protein 0.0092 0.0862 0.0852
Schistosoma mansoni smad1 5 8 and 0.0024 0.0067 0.0067
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0021 0.0028 0.0032
Brugia malayi Importin beta-1 subunit 0.0029 0.0125 0.0313
Schistosoma mansoni tar DNA-binding protein 0.0248 0.2704 0.2704
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0073 0.0646 0.1197
Entamoeba histolytica hypothetical protein 0.0036 0.02 0.2056
Onchocerca volvulus 0.0027 0.0095 0.147
Echinococcus multilocularis geminin 0.0865 1 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0021 0.0028 0.0032
Schistosoma mansoni importin beta-1 0.0029 0.0125 0.0125
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0027 0.0095 0.0237
Entamoeba histolytica hypothetical protein 0.0024 0.006 0.0533
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.0524 0.0513
Trichomonas vaginalis importin beta-1, putative 0.0024 0.006 0.0272
Trypanosoma brucei hypothetical protein, conserved 0.0073 0.0646 0.9059
Schistosoma mansoni zinc finger protein 0.0041 0.0268 0.0268
Loa Loa (eye worm) hypothetical protein 0.0073 0.0646 0.1612
Leishmania major cytochrome p450-like protein 0.0021 0.0028 0.0241
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0021 0.0028 0.0241
Schistosoma mansoni smad1 5 8 and 0.0024 0.0067 0.0067
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0205 0.0205
Loa Loa (eye worm) hypothetical protein 0.0029 0.0125 0.0313
Schistosoma mansoni tar DNA-binding protein 0.0248 0.2704 0.2704
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0038 0.0222 0.2841
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0034 0.0023
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0073 0.0646 0.1612
Echinococcus granulosus tar DNA binding protein 0.0248 0.2704 0.2696
Loa Loa (eye worm) beta-lactamase 0.0073 0.0646 0.1612
Mycobacterium tuberculosis Conserved protein 0.0073 0.0646 0.1197
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0079 0.0712 1
Trypanosoma cruzi GMP reductase 0.0079 0.0712 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0011 0.0011
Brugia malayi MH1 domain containing protein 0.0024 0.0067 0.0167
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.0524 0.0513
Leishmania major GTP-binding protein, putative 0.0022 0.0034 0.033
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0318 0.0308
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0092 0.1156
Onchocerca volvulus 0.0073 0.0646 1
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0274 0.0263
Brugia malayi Calcitonin receptor-like protein seb-1 0.0199 0.2133 0.5323
Brugia malayi beta-lactamase family protein 0.0073 0.0646 0.1612
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0092 0.0449
Brugia malayi RNA recognition motif domain containing protein 0.0248 0.2704 0.6748
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0041 0.0269 0.0486
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0274 0.0683
Echinococcus granulosus TGF beta signal transducer SmadC 0.0024 0.0067 0.0056
Trypanosoma brucei ISWI complex protein 0.0032 0.0161 0.2144
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0021 0.0028 0.0032
Loa Loa (eye worm) PHD-finger family protein 0.0044 0.0294 0.0734
Onchocerca volvulus 0.0073 0.0646 1
Schistosoma mansoni hypothetical protein 0.0865 1 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0021 0.0028 0.0032
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0011 0.0011
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0318 0.0308
Leishmania major inosine-5-monophosphate dehydrogenase 0.0079 0.0712 1
Brugia malayi CHE-14 protein 0.0042 0.0274 0.0683
Loa Loa (eye worm) hypothetical protein 0.0073 0.0646 0.1612
Loa Loa (eye worm) hypothetical protein 0.0042 0.0274 0.0683
Schistosoma mansoni patched 1 0.0042 0.0274 0.0274
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.006 0.07
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0318 0.0308
Brugia malayi Cytochrome P450 family protein 0.004 0.0253 0.063
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0073 0.0646 0.1197
Brugia malayi beta-lactamase family protein 0.0073 0.0646 0.1612
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0034 0.033
Loa Loa (eye worm) RNA binding protein 0.0248 0.2704 0.6748
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0021 0.0028 0.0241
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0076 0.0677 0.0667
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0079 0.0712 0.0702
Schistosoma mansoni Smad4 0.0024 0.0067 0.0067
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0076 0.0677 0.0667
Echinococcus multilocularis Smad4 0.0024 0.0067 0.0056
Mycobacterium leprae conserved hypothetical protein 0.0073 0.0646 0.9036
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0021 0.0028 0.0241
Brugia malayi Smad1 0.0024 0.0067 0.0167
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0079 0.0712 1
Leishmania major cytochrome p450-like protein 0.0021 0.0028 0.0241
Plasmodium vivax importin-beta 2, putative 0.0029 0.0125 0.1469
Loa Loa (eye worm) hypothetical protein 0.0073 0.0646 0.1612
Schistosoma mansoni zinc finger protein 0.0032 0.0161 0.0161
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0199 0.2133 0.5323
Leishmania major hypothetical protein, conserved 0.0073 0.0646 0.9059
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0177 0.1871 0.4669
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0092 0.0229
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0048 0.0342 0.0342
Plasmodium falciparum kinesin-5 0.0053 0.041 0.6049
Loa Loa (eye worm) Smad1 0.0024 0.0067 0.0167
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0021 0.0028 0.0032
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0646 0.0646
Mycobacterium tuberculosis Conserved protein 0.0073 0.0646 0.1197
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0646 0.3524
Entamoeba histolytica hypothetical protein 0.0036 0.02 0.2056
Loa Loa (eye worm) hypothetical protein 0.0098 0.0932 0.2325
Schistosoma mansoni hypothetical protein 0.004 0.0256 0.0256
Brugia malayi Latrophilin receptor protein 2 0.0063 0.0524 0.1307
Echinococcus granulosus microtubule associated protein 2 0.0667 0.7658 0.7655
Trypanosoma cruzi GMP reductase 0.0079 0.0712 1
Schistosoma mansoni hypothetical protein 0.0032 0.0161 0.0161
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0021 0.0028 0.0032
Schistosoma mansoni hypothetical protein 0.004 0.0256 0.0256
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0021 0.0028 0.0032
Brugia malayi MH2 domain containing protein 0.0358 0.4007 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0358 0.4007 1
Schistosoma mansoni tar DNA-binding protein 0.0248 0.2704 0.2704
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0038 0.0222 0.3013
Trypanosoma brucei GMP reductase 0.0079 0.0712 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0048 0.0342 0.0332
Echinococcus multilocularis protein dispatched 1 0.0048 0.0343 0.0333
Loa Loa (eye worm) TAR-binding protein 0.0248 0.2704 0.6748
Brugia malayi Cytochrome P450 family protein 0.003 0.0131 0.0327
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0274 0.0263
Loa Loa (eye worm) hypothetical protein 0.009 0.0844 0.2107
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0098 0.0932 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0024 0.0067 0.0056
Leishmania major guanosine monophosphate reductase 0.0079 0.0712 1
Mycobacterium tuberculosis Probable hydrolase 0.0073 0.0646 0.1197
Echinococcus granulosus cytochrome P450 2K1 0.0021 0.0028 0.0017
Mycobacterium ulcerans esterase/lipase LipP 0.0073 0.0646 0.9059
Leishmania major importin beta-1 subunit, putative 0.0024 0.006 0.07
Echinococcus granulosus aryl hydrocarbon receptor 0.0027 0.0095 0.0084
Echinococcus multilocularis beta LACTamase domain containing family member 0.0073 0.0646 0.0636
Mycobacterium ulcerans hypothetical protein 0.0073 0.0646 0.9059
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0033 0.0167 0.0416
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0021 0.0028 0.0241
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.0524 0.1307
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0646 0.3524
Entamoeba histolytica hypothetical protein 0.0036 0.02 0.2056
Mycobacterium tuberculosis Conserved protein 0.0073 0.0646 0.1197
Loa Loa (eye worm) cytochrome P450 family protein 0.004 0.0253 0.063
Echinococcus multilocularis smad 0.0024 0.0067 0.0056
Schistosoma mansoni hypothetical protein 0.0063 0.0524 0.0524
Loa Loa (eye worm) MH1 domain-containing protein 0.0024 0.0067 0.0167
Echinococcus granulosus zinc finger protein 0.0041 0.0268 0.0257
Schistosoma mansoni ran 0.0022 0.0034 0.0034
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0021 0.0028 0.0241
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.02 0.019
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0021 0.0028 0.0032
Brugia malayi PHD-finger family protein 0.0053 0.0401 0.1001
Toxoplasma gondii kinesin motor domain-containing protein 0.0053 0.041 0.5595
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0021 0.0028 0.0241
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0469 0.5319 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0646 0.0646
Loa Loa (eye worm) hypothetical protein 0.0136 0.1388 0.3464
Echinococcus granulosus kinesin family 1 0.0411 0.4642 0.4636
Echinococcus granulosus mothers against decapentaplegic 5 0.0024 0.0067 0.0056
Echinococcus granulosus Smad4 0.0024 0.0067 0.0056
Trypanosoma cruzi cytochrome P450, putative 0.003 0.0131 0.1714
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0125 0.1634
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0021 0.0028 0.0241
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0011 0.0027
Trypanosoma cruzi ISWI complex protein 0.0032 0.0161 0.2144
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0079 0.0712 0.0702
Brugia malayi latrophilin 2 splice variant baaae 0.0136 0.1388 0.3464
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0079 0.0712 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0646 0.3524
Entamoeba histolytica Ran family GTPase 0.0022 0.0034 0.0251
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0034 0.0084
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0021 0.0028 0.0032
Loa Loa (eye worm) IMP dehydrogenase 1 0.0079 0.0712 0.1777
Trichomonas vaginalis conserved hypothetical protein 0.0172 0.1814 1
Schistosoma mansoni hypothetical protein 0.0063 0.0524 0.0524
Schistosoma mansoni hypothetical protein 0.0358 0.401 0.401
Entamoeba histolytica hypothetical protein 0.0036 0.02 0.2056
Trichomonas vaginalis esterase, putative 0.0073 0.0646 0.3524
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0024 0.0067 0.0067
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0646 0.9059
Brugia malayi RNA binding protein 0.0248 0.2704 0.6748
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0034 0.0091
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0036 0.0205 0.0194
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0021 0.0028 0.0032
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0131 0.0327
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0092 0.1156
Brugia malayi Kinesin motor domain containing protein 0.0053 0.041 0.1024
Schistosoma mansoni smad1 5 8 and 0.0024 0.0067 0.0067
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0248 0.2704 0.6748
Brugia malayi Cytochrome P450 family protein 0.003 0.0131 0.0327
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0021 0.0028 0.0241
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0021 0.0028 0.0241
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0079 0.0712 0.5
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0021 0.0028 0.0241
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0034 0.033
Schistosoma mansoni hypothetical protein 0.0313 0.3478 0.3478
Loa Loa (eye worm) hypothetical protein 0.002 0.0011 0.0027
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0125 0.0115
Schistosoma mansoni hypothetical protein 0.0063 0.0524 0.0524
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0205 0.0194
Echinococcus multilocularis zinc finger protein 0.0041 0.0268 0.0257
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0079 0.0712 0.1777
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0126 0.127 0.1261
Plasmodium vivax hypothetical protein, conserved 0.0073 0.0646 0.9831
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.02 0.019
Leishmania major hypothetical protein, conserved 0.0032 0.0161 0.2144
Schistosoma mansoni hypothetical protein 0.0865 1 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.0797 0.1988
Schistosoma mansoni DNA polymerase eta 0.002 0.0011 0.0011
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0011 0.0027
Loa Loa (eye worm) hypothetical protein 0.0177 0.1871 0.4669
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0021 0.0028 0.0241
Loa Loa (eye worm) cytochrome P450 0.0021 0.0028 0.0069
Trypanosoma cruzi cytochrome P450, putative 0.003 0.0131 0.1714
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0034 0.0578
Brugia malayi beta-lactamase 0.0073 0.0646 0.1612
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0646 0.9059
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0021 0.0028 0.0032
Mycobacterium tuberculosis Probable lipase LipE 0.0073 0.0646 0.1197
Loa Loa (eye worm) CYP4Cod1 0.003 0.0131 0.0327
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0126 0.127 0.1261
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0021 0.0028 0.0032
Echinococcus granulosus smad 0.0024 0.0067 0.0056
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0274 0.0263
Brugia malayi Bromodomain containing protein 0.0159 0.1653 0.4124
Loa Loa (eye worm) hypothetical protein 0.0051 0.0385 0.096
Brugia malayi Cytochrome P450 family protein 0.0021 0.0028 0.0069
Leishmania major cytochrome p450-like protein 0.003 0.0131 0.1714
Brugia malayi Bromodomain containing protein 0.0081 0.0736 0.1836
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.02 0.02
Mycobacterium tuberculosis Probable esterase LipL 0.0073 0.0646 0.1197
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0125 0.1634
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.0524 0.1307
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.0524 0.0513
Onchocerca volvulus 0.0073 0.0646 1
Loa Loa (eye worm) bromodomain containing protein 0.0037 0.022 0.0549
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0131 0.0327
Schistosoma mansoni hypothetical protein 0.0021 0.0028 0.0028
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0021 0.0028 0.0241
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0021 0.0028 0.0241
Brugia malayi cytochrome P450 0.0021 0.0028 0.0069
Trichomonas vaginalis ran, putative 0.0022 0.0034 0.0128
Brugia malayi MH2 domain containing protein 0.0024 0.0067 0.0167
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.003 0.0131 0.1714
Echinococcus granulosus beta LACTamase domain containing family member 0.0073 0.0646 0.0636
Loa Loa (eye worm) hypothetical protein 0.0073 0.0646 0.1612
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0079 0.0712 0.1321
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0021 0.0028 0.0032
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0021 0.0028 0.0241
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0079 0.0712 0.0712
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0034 0.033
Echinococcus granulosus importin subunit beta 1 0.0029 0.0125 0.0115
Plasmodium vivax kinesin-5 0.0053 0.041 0.6049
Echinococcus granulosus expressed conserved protein 0.0092 0.0862 0.0852
Echinococcus multilocularis 0.0021 0.0028 0.0017
Mycobacterium ulcerans beta-lactamase 0.0073 0.0646 0.9059
Schistosoma mansoni smad 0.0024 0.0067 0.0067
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0318 0.0794
Echinococcus multilocularis snurportin 1 0.0313 0.3478 0.3471
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.006 0.0272
Echinococcus granulosus Niemann Pick C1 protein 0.0139 0.1426 0.1417
Mycobacterium tuberculosis Probable lipase LipD 0.0073 0.0646 0.1197
Loa Loa (eye worm) hypothetical protein 0.0063 0.0524 0.1307
Plasmodium falciparum flap endonuclease 1 0.0026 0.0092 0.093
Brugia malayi RNA, U transporter 1 0.0083 0.0764 0.1907
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0033 0.0167 0.0416
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0021 0.0028 0.0241
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0034 0.0023
Schistosoma mansoni hypothetical protein 0.0036 0.02 0.02
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0048 0.0342 0.0332
Echinococcus multilocularis Niemann Pick C1 protein 0.0139 0.1426 0.1417
Loa Loa (eye worm) transcription factor SMAD2 0.0358 0.4007 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0205 0.0205
Schistosoma mansoni microtubule-associated protein tau 0.0667 0.7658 0.7658
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0313 0.3478 0.868
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0199 0.2133 0.5323
Schistosoma mansoni hypothetical protein 0.004 0.0256 0.0256
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0021 0.0028 0.0241
Schistosoma mansoni hypothetical protein 0.004 0.0256 0.0256
Brugia malayi MH1 domain containing protein 0.0024 0.0067 0.0167
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0092 0.2027
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0318 0.0308
Echinococcus granulosus flap endonuclease 1 0.0026 0.0092 0.0081
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0021 0.0028 0.0241
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.0932 0.0922
Loa Loa (eye worm) GMP reductase 0.0033 0.0167 0.0416
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0021 0.0028 0.0241
Loa Loa (eye worm) hypothetical protein 0.0073 0.0646 0.1612
Echinococcus multilocularis aryl hydrocarbon receptor 0.0027 0.0095 0.0084
Schistosoma mansoni ran 0.0022 0.0034 0.0034
Entamoeba histolytica kinesin, putative 0.0053 0.041 0.4341
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0021 0.0028 0.0241
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0021 0.0028 0.0241
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0021 0.0028 0.0032
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0073 0.0646 0.9059
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0125 0.1428
Schistosoma mansoni tar DNA-binding protein 0.0248 0.2704 0.2704
Brugia malayi hypothetical protein 0.0036 0.02 0.0499

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 580 nM In vitro for inhibition of parasite development of Plasmodium falciparum (W-2 strain) cultured in human erythrocytes in an antiparasitic assay ChEMBL. 11992775
IC50 (functional) = 1100 nM In vitro for antimalarial activity against Plasmodium falciparum (W-2 strain) cultured in human erythrocytes by the inhibition of [3H]-hypoxanthine uptake ChEMBL. 11992775

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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