Detailed information for compound 36202

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 227.323 | Formula: C11H17NO2S
  • H donors: 1 H acceptors: 0 LogP: 1.7 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCc1cc(OC)c(c(c1)OC)SC
  • InChi: 1S/C11H17NO2S/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3
  • InChiKey: FYTOAZIRBXNPKZ-UHFFFAOYSA-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
Echinococcus multilocularis mitogen activated protein kinase 3 0.0088 0.0852 0.0809
Trypanosoma brucei protein kinase, putative 0.0088 0.0852 0.7956
Schistosoma mansoni hypothetical protein 0.0017 0.0123 0.0459
Loa Loa (eye worm) RecQ helicase 0.0026 0.0209 0.0422
Echinococcus granulosus lamin 0.0059 0.056 0.2568
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.001 0.0047 0.5
Brugia malayi intermediate filament protein 0.0059 0.056 0.1853
Brugia malayi Cytochrome P450 family protein 0.0027 0.0229 0.0655
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0011 0.0054 0.0032
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0017 0.012 0.0111
Loa Loa (eye worm) hypothetical protein 0.0036 0.0315 0.0698
Echinococcus multilocularis ETS transcription factor Elf 2 0.0013 0.0075 0.0028
Echinococcus granulosus bloom syndrome protein 0.0026 0.0209 0.081
Echinococcus multilocularis protein C ets 2 0.0013 0.0075 0.0028
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0301 0.127
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0017 0.012 0.0111
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0017 0.012 0.0105
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Schistosoma mansoni cytochrome P450 0.0017 0.012 0.0449
Mycobacterium ulcerans arylsulfatase, AslA 0.001 0.0051 0.0006
Mycobacterium ulcerans arylsulfatase AtsD 0.001 0.0051 0.0006
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0017 0.0123 0.0076
Brugia malayi Pre-SET motif family protein 0.0036 0.0315 0.0966
Brugia malayi follicle stimulating hormone receptor 0.0277 0.2816 1
Mycobacterium leprae Conserved hypothetical protein 0.0017 0.012 0.0111
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0017 0.012 0.0111
Schistosoma mansoni ets-related 0.0263 0.2671 1
Trichomonas vaginalis CMGC family protein kinase 0.0088 0.0852 0.2841
Schistosoma mansoni DNA ligase IV 0.001 0.0047 0.0176
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0047 0.0176
Schistosoma mansoni DNA helicase recq1 0.0011 0.0054 0.0201
Schistosoma mansoni ets 0.0013 0.0075 0.0279
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0315 0.1178
Echinococcus multilocularis lamin 0.0059 0.056 0.0516
Echinococcus multilocularis GA binding protein alpha chain 0.0087 0.0842 0.0799
Loa Loa (eye worm) D-ets-2 protein 0.0013 0.0075 0.0072
Echinococcus granulosus nuclear factor of activated T cells 5 0.0088 0.0858 0.4055
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Mycobacterium ulcerans arylsulfatase AtsD 0.001 0.0051 0.0006
Loa Loa (eye worm) hypothetical protein 0.0106 0.1045 0.2606
Mycobacterium ulcerans DNA-methyltransferase (modification methylase) 0.0086 0.0836 0.1202
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0017 0.012 0.0105
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0249 0.2525 0.6468
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0017 0.012 0.0111
Echinococcus granulosus geminin 0.0203 0.2046 1
Leishmania major cytochrome p450-like protein 0.0027 0.0229 0.0696
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Loa Loa (eye worm) hypothetical protein 0.0029 0.0242 0.0508
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0086 0.0185
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Loa Loa (eye worm) hypothetical protein 0.001 0.0053 0.0015
Brugia malayi Cytochrome P450 family protein 0.0017 0.012 0.0263
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0011 0.0054 0.0017
Loa Loa (eye worm) hypothetical protein 0.0013 0.0075 0.0072
Schistosoma mansoni hypothetical protein 0.0013 0.0075 0.0279
Brugia malayi hypothetical protein 0.0146 0.1454 0.508
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0047 0.00000034637
Echinococcus granulosus intermediate filament protein 0.0059 0.056 0.2568
Echinococcus granulosus protein C ets 2 0.0013 0.0075 0.0137
Leishmania major hypothetical protein, conserved 0.0211 0.2137 1
Echinococcus granulosus mitogen activated protein kinase 0.0088 0.0852 0.4029
Echinococcus granulosus GA binding protein alpha chain 0.0087 0.0842 0.3979
Echinococcus granulosus netrin receptor unc 5 0.0017 0.0123 0.0378
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0017 0.012 0.0105
Echinococcus multilocularis netrin receptor unc 5 0.0017 0.0123 0.0076
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0017 0.012 0.0105
Brugia malayi Cytochrome P450 family protein 0.004 0.0356 0.1117
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0088 0.0852 0.3738
Mycobacterium leprae PROBABLE METHYLATED-DNA--PROTEIN-CYSTEINE METHYLTRANSFERASE OGT (6-O-methylguanine-DNA methyltransferase) (O-6-methylguanine-DNA 0.0642 0.6608 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0013 0.0075 0.0072
Schistosoma mansoni elf1 0.0013 0.0075 0.0279
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0107 0.1059 1
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.0209 0.0584
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Trypanosoma cruzi cytochrome P450, putative 0.0027 0.0229 0.0868
Schistosoma mansoni serine/threonine protein kinase 0.0088 0.0852 0.3191
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0013 0.0075 0.0279
Trypanosoma brucei cytochrome P450, putative 0.0027 0.0229 0.1792
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.001 0.0047 0.0553
Echinococcus granulosus ETS domain containing protein Elk 1 0.0013 0.0075 0.0137
Mycobacterium leprae putative cytochrome p450 0.0017 0.012 0.0111
Loa Loa (eye worm) hypothetical protein 0.0106 0.1045 0.2606
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0017 0.012 0.0105
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0086 0.0381
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0088 0.0852 0.3854
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0017 0.012 0.0167
Echinococcus granulosus ewsr:fli fusion protein type 0.0013 0.0075 0.0137
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0017 0.012 0.0111
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0017 0.012 0.0105
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0229 0.0474
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0017 0.012 0.0111
Schistosoma mansoni hypothetical protein 0.0013 0.0075 0.0279
Schistosoma mansoni topbp1 0.001 0.0047 0.0176
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0315 0.1178
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0013 0.0075 0.0072
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Loa Loa (eye worm) hypothetical protein 0.0074 0.0712 0.1736
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Loa Loa (eye worm) hypothetical protein 0.0058 0.0549 0.131
Loa Loa (eye worm) hypothetical protein 0.0017 0.0124 0.0201
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0047 0.0000012162
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0011 0.0054 0.0006
Trypanosoma brucei hypothetical protein, conserved 0.0086 0.0836 0.7793
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0032 0.0274 0.0593
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0088 0.0852 0.7956
Toxoplasma gondii ATPase, AAA family protein 0.001 0.0047 0.0553
Trypanosoma cruzi O-6 methyl-guanine alkyl transferase, putative 0.0211 0.2137 1
Brugia malayi hypothetical protein 0.001 0.0051 0.0013
Leishmania major cytochrome p450-like protein 0.0017 0.012 0.0167
Echinococcus granulosus mitogen activated protein kinase 3 0.0088 0.0852 0.4029
Loa Loa (eye worm) hypothetical protein 0.002 0.0155 0.0283
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0017 0.012 0.0111
Trichomonas vaginalis mucin-desulfating sulfatase, putative 0.001 0.0051 0.0013
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0088 0.0852 0.3738
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0013 0.0075 0.0028
Onchocerca volvulus 0.0283 0.2883 1
Treponema pallidum methylated-DNA-protein-cysteine S-methyltransferase (dat) 0.0211 0.2137 1
Trichomonas vaginalis CMGC family protein kinase 0.0088 0.0852 0.2841
Brugia malayi Pre-SET motif family protein 0.0249 0.2525 0.8948
Echinococcus multilocularis 0.0017 0.012 0.0073
Brugia malayi cytochrome P450 0.0017 0.012 0.0263
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0017 0.012 0.0105
Entamoeba histolytica hypothetical protein 0.0107 0.1059 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0017 0.012 0.0105
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0017 0.012 0.0105
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0017 0.012 0.0111
Mycobacterium ulcerans hydrolase 0.001 0.0051 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Loa Loa (eye worm) hypothetical protein 0.0011 0.0054 0.0017
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0059 0.056 0.1339
Schistosoma mansoni DNA helicase recq5 0.0011 0.0054 0.0201
Brugia malayi transcription factor E74 isoform 0.0013 0.0075 0.0099
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0088 0.0852 0.3854
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0017 0.012 0.0111
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Schistosoma mansoni ets-related 0.0013 0.0075 0.0279
Brugia malayi cytoplasmic intermediate filament protein 0.0032 0.0274 0.082
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0107 0.1059 0.2642
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0017 0.012 0.0105
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0017 0.012 0.0105
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0054 0.0628
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0017 0.012 0.0111
Loa Loa (eye worm) intermediate filament protein 0.0059 0.056 0.1339
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0315 0.1178
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0315 0.0269
Entamoeba histolytica protein kinase, putative 0.0107 0.1059 1
Echinococcus multilocularis ETS transcription factor Elf 1 0.0013 0.0075 0.0028
Giardia lamblia Kinase, CMGC MAPK 0.0088 0.0852 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0017 0.012 0.0719
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0011 0.0054 0.0032
Brugia malayi Ets-domain containing protein 0.0087 0.0842 0.2872
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0017 0.0123 0.0197
Schistosoma mansoni topbp1 0.001 0.0047 0.0176
Loa Loa (eye worm) cytochrome P450 0.0017 0.012 0.019
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0054 0.0023
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0017 0.012 0.0111
Schistosoma mansoni lamin 0.0059 0.056 0.2098
Echinococcus granulosus death domain containing protein 0.0017 0.0123 0.0378
Entamoeba histolytica hypothetical protein 0.001 0.0047 0.0445
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0088 0.0852 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.0209 0.0571
Schistosoma mansoni serine/threonine protein kinase 0.0107 0.1059 0.3966
Loa Loa (eye worm) hypothetical protein 0.0013 0.0075 0.0072
Loa Loa (eye worm) hypothetical protein 0.0379 0.3878 1
Echinococcus granulosus ETS transcription factor Elf 1 0.0013 0.0075 0.0137
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Loa Loa (eye worm) cytochrome P450 family protein 0.004 0.0356 0.0808
Plasmodium vivax SET domain protein, putative 0.0036 0.0315 1
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0088 0.0852 0.2102
Schistosoma mansoni gabp alpha 0.0087 0.0842 0.3154
Giardia lamblia Hypothetical protein 0.001 0.0051 0.0045
Loa Loa (eye worm) hypothetical protein 0.0059 0.056 0.1339
Echinococcus granulosus cytochrome P450 2K1 0.0017 0.012 0.0364
Schistosoma mansoni intermediate filament proteins 0.0059 0.056 0.2098
Brugia malayi Fli-1 protein 0.0263 0.2671 0.9474
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0088 0.0852 0.3854
Trichomonas vaginalis DNA helicase recq, putative 0.0014 0.0086 0.0136
Brugia malayi Death domain containing protein 0.0017 0.0123 0.0273
Brugia malayi Intermediate filament tail domain containing protein 0.0059 0.056 0.1853
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0011 0.0054 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0229 0.0474
Trichomonas vaginalis CMGC family protein kinase 0.0088 0.0852 0.2841
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0017 0.012 0.0105
Echinococcus multilocularis ewsr:fli fusion protein type 0.0013 0.0075 0.0028
Echinococcus multilocularis mitogen activated protein kinase 0.0088 0.0852 0.0809
Echinococcus granulosus replication factor c subunit 1 0.001 0.0047 0.000001725
Brugia malayi Protein kinase domain containing protein 0.0107 0.1059 0.3655
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0017 0.012 0.0111
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0315 0.0269
Loa Loa (eye worm) hypothetical protein 0.001 0.0051 0.001
Entamoeba histolytica recQ family helicase, putative 0.0014 0.0086 0.0809
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0017 0.012 0.0111
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0017 0.0124 0.0465
Trichomonas vaginalis methylated-DNA--protein-cysteine methyltransferase, putative 0.0211 0.2137 0.7371
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0315 0.369
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0017 0.012 0.0111
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0017 0.0123 0.2847
Echinococcus granulosus ETS transcription factor Elf 2 0.0013 0.0075 0.0137
Trichomonas vaginalis CMGC family protein kinase 0.0088 0.0852 0.2841
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0017 0.012 0.0111
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0017 0.012 0.0348
Trichomonas vaginalis Phosphoglycerol transferase I, putative 0.001 0.0051 0.0013
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0017 0.012 0.0105
Schistosoma mansoni hypothetical protein 0.0203 0.2046 0.766
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0277 0.2816 0.7228
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.0047 0.0445
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0088 0.0858 0.0814
Chlamydia trachomatis methylated-DNA protein-cysteine methyltransferase 0.0211 0.2137 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0054 0.0628
Brugia malayi DNA-binding protein D-ETS-3 0.0013 0.0075 0.0099
Brugia malayi Cytochrome P450 family protein 0.0027 0.0229 0.0655
Mycobacterium tuberculosis Methylated-DNA--protein-cysteine methyltransferase Ogt (6-O-methylguanine-DNA methyltransferase) (O-6-methylguanine-DNA-alkyltra 0.0642 0.6608 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0017 0.012 0.0105
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0011 0.0054 0.0497
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0017 0.012 0.0111
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Giardia lamblia Sgs1 DNA helicase, putative 0.0011 0.0054 0.008
Mycobacterium ulcerans arylsulfatase AtsB 0.001 0.0051 0.0006
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0029 0.0242 0.0973
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0017 0.0123 0.0378
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.0047 0.0000012162
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0017 0.012 0.0111
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Loa Loa (eye worm) ets-domain-containing protein 0.0013 0.0075 0.0072
Echinococcus multilocularis ETS transcription factor Elf 2 0.0013 0.0075 0.0028
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Echinococcus multilocularis geminin 0.0203 0.2046 0.2008
Schistosoma mansoni hypothetical protein 0.0017 0.012 0.0449
Trypanosoma cruzi cytochrome P450, putative 0.0027 0.0229 0.0868
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0029 0.0242 0.0195
Echinococcus granulosus dual specificity 0.0107 0.1059 0.5064
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0017 0.012 0.0111
Mycobacterium ulcerans sulfatase 0.001 0.0051 0.0006
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0087 0.0842 0.2076
Onchocerca volvulus 0.0059 0.056 0.1809
Leishmania major cytochrome p450-like protein 0.0017 0.012 0.0167
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0017 0.012 0.0348
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0047 0.0000012162
Loa Loa (eye worm) hypothetical protein 0.0028 0.023 0.0478
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0054 0.0023
Entamoeba histolytica protein kinase, putative 0.0107 0.1059 1
Schistosoma mansoni ankyrin 23/unc44 0.0017 0.0123 0.0459
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0027 0.0229 0.0277
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0017 0.012 0.0105
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0017 0.012 0.0105
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0107 0.1059 0.4844
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Echinococcus multilocularis ets variant gene 4 0.0013 0.0075 0.0028
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Brugia malayi Ets-domain containing protein 0.0087 0.0842 0.2872
Echinococcus granulosus Ankyrin 0.0017 0.0124 0.0385
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0017 0.012 0.0348
Brugia malayi Uncoordinated protein 44 0.0017 0.0123 0.0273
Mycobacterium ulcerans methylated-DNA--protein-cysteine methyltransferase Ogt 0.0642 0.6608 1
Brugia malayi Protein kinase domain containing protein 0.0019 0.0136 0.0323
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0315 0.1178
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0017 0.012 0.0105
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0017 0.012 0.0111
Schistosoma mansoni netrin receptor unc5 0.0017 0.0123 0.0459
Onchocerca volvulus Netrin receptor homolog 0.0017 0.0123 0.0266
Echinococcus multilocularis dual specificity 0.0107 0.1059 0.1017
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0153 0.0574
Echinococcus multilocularis bloom syndrome protein 0.0026 0.0209 0.0163
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.0177 1
Brugia malayi Sulfatase family protein 0.001 0.0051 0.0013
Echinococcus granulosus lamin dm0 0.0059 0.056 0.2568
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0088 0.0852 0.3854
Onchocerca volvulus GPI ethanolamine phosphate transferase 1 homolog 0.001 0.0051 0.0013
Onchocerca volvulus 0.0059 0.056 0.1809
Echinococcus multilocularis lamin dm0 0.0059 0.056 0.0516
Loa Loa (eye worm) hypothetical protein 0.001 0.0051 0.001
Entamoeba histolytica protein kinase domain containing protein 0.0107 0.1059 1
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0209 0.0571
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0107 0.1059 0.4747
Loa Loa (eye worm) hypothetical protein 0.0028 0.023 0.0478
Echinococcus multilocularis ETS transcription factor Elf 5 0.0013 0.0075 0.0028
Echinococcus granulosus ETS transcription factor Elf 5 0.0013 0.0075 0.0137
Toxoplasma gondii cytochrome p450 superfamily protein 0.0017 0.012 0.1406
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0121 0.1421
Giardia lamblia Hypothetical protein 0.001 0.0051 0.0045
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Onchocerca volvulus 0.0036 0.0315 0.0943
Loa Loa (eye worm) CYP4Cod1 0.0027 0.0229 0.0474
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0315 0.1338
Brugia malayi Ets-domain containing protein 0.0013 0.0075 0.0099
Trichomonas vaginalis set domain proteins, putative 0.0283 0.2882 1
Echinococcus multilocularis musashi 0.0059 0.056 0.0516
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0017 0.012 0.0111
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0017 0.012 0.0105
Brugia malayi MAP kinase sur-1 0.0088 0.0852 0.2908
Echinococcus multilocularis Ankyrin 0.0017 0.0124 0.0077
Trypanosoma cruzi O-6 methyl-guanine alkyl transferase, putative 0.0211 0.2137 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0017 0.012 0.0105
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0051 0.0013
Loa Loa (eye worm) hypothetical protein 0.0017 0.0123 0.0197
Schistosoma mansoni lamin 0.0059 0.056 0.2098
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0017 0.012 0.0105
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0107 0.1059 0.4844
Loa Loa (eye worm) fli-1 protein 0.0263 0.2671 0.6848
Echinococcus granulosus ETS transcription factor Elf 2 0.0013 0.0075 0.0137
Schistosoma mansoni hypothetical protein 0.0203 0.2046 0.766
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0123 0.0273

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 10 Compound tested for hallucinogenic activity in humans was reported; Value reported in (A)= Mescaline units ChEMBL. 9748359
Activity (functional) = 10 Compound tested for hallucinogenic activity in humans was reported; Value reported in (A)= Mescaline units ChEMBL. 9748359
Activity (functional) = 12 MU Hallucinogenic activity i.e; ratio of effective dose of mescaline to the effective dose of the compound was determined in human ChEMBL. 2299636
Activity (functional) = 12 MU Hallucinogenic activity i.e; ratio of effective dose of mescaline to the effective dose of the compound was determined in human ChEMBL. 2299636
Human potency (functional) = 12 MU Compound was tested for the psychotropic effect in human (activity is expressed in mescaline unit) ChEMBL. 7310812
Human potency (functional) = 12 MU Compound was tested for the psychotropic effect in human (activity is expressed in mescaline unit) ChEMBL. 7310812
Log activity (functional) = 1.079 Log value of hallucinogenic activity was determined ChEMBL. 2299636
MAO deamination (binding) = 56 % Compound was tested in vitro for the bovine plasma monoamine oxidase deamination without semicarbazide ChEMBL. 7310812
MAO deamination (binding) = 56 % Compound was tested in vitro for the bovine plasma monoamine oxidase deamination without semicarbazide ChEMBL. 7310812
Relative activity (functional) = 12 Psychotomimetic potency of compound relative to that of mescaline (Human potency of mescaline = 1 MU) ChEMBL. 6737431
Relative activity (functional) = 12 Psychotomimetic potency of compound relative to that of mescaline (Human potency of mescaline = 1 MU) ChEMBL. 6737431

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

4 literature references were collected for this gene.

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