Detailed information for compound 1030642

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 295.336 | Formula: C17H17N3O2
  • H donors: 0 H acceptors: 2 LogP: 2.76 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)OCc1nnn(c1)Cc1ccccc1
  • InChi: 1S/C17H17N3O2/c1-21-16-7-9-17(10-8-16)22-13-15-12-20(19-18-15)11-14-5-3-2-4-6-14/h2-10,12H,11,13H2,1H3
  • InChiKey: VTPOEWIVSRXANK-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 cytochrome P450, family 19, subfamily A, polypeptide 1 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
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi cytochrome P450, putative cytochrome P450, family 19, subfamily A, polypeptide 1 503 aa 425 aa 18.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0114 0.1176
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.002 0.0062 0.0028
Onchocerca volvulus 0.0021 0.0072 0.0224
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0132 0.1301
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0093 0.07 0.1174
Loa Loa (eye worm) hypothetical protein 0.0082 0.0604 0.058
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0168 0.2523
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0948
Trichomonas vaginalis esterase, putative 0.0082 0.0604 0.1002
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0084 0.0623 0.0738
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0016 0.0025 0.003
Loa Loa (eye worm) hypothetical protein 0.0082 0.0604 0.058
Echinococcus granulosus FTZ F1 alpha 0.0016 0.0025 0.0025
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0168 0.2523
Loa Loa (eye worm) CXXC zinc finger family protein 0.0089 0.0665 0.0641
Loa Loa (eye worm) MBOAT family protein 0.0084 0.0623 0.0599
Schistosoma mansoni thyroid hormone receptor 0.0016 0.0025 0.003
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0072 0.0046
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0084 0.0623 0.0623
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0084 0.0623 0.0738
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0093 0.07 0.1174
Echinococcus multilocularis zinc finger protein 0.0894 0.7705 0.7705
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0948
Schistosoma mansoni hypothetical protein 0.0084 0.0623 0.0738
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0082 0.0604 0.1002
Trypanosoma cruzi hypothetical protein, conserved 0.0082 0.0604 0.9671
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0072 0.0045
Trypanosoma cruzi glycerol uptake protein, putative 0.0084 0.0623 1
Toxoplasma gondii ABC1 family protein 0.0082 0.0604 0.4204
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0072 0.0072
Schistosoma mansoni hypothetical protein 0.0035 0.0193 0.0229
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0344 0.2896 0.2878
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0141 0.1629
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0114 0.0122
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0072 0.0112
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.076 0.076
Mycobacterium ulcerans acetylornithine aminotransferase 0.0093 0.07 0.1174
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0948
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0654 0.5611 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0026 0.0026
Echinococcus multilocularis ecdysone induced protein 78C 0.0016 0.0025 0.0025
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0016 0.0025 0.003
Brugia malayi CXXC zinc finger family protein 0.0089 0.0665 0.0641
Mycobacterium tuberculosis Probable lipase LipD 0.0082 0.0604 0.1002
Loa Loa (eye worm) follicle stimulating hormone receptor 0.076 0.6532 0.6523
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0062 0.0028
Trichomonas vaginalis D-aminoacylase, putative 0.0082 0.0604 0.1002
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0141 0.1438
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0093 0.0068
Mycobacterium tuberculosis Probable hydrolase 0.0082 0.0604 0.1002
Echinococcus multilocularis GPCR, family 2 0.0016 0.0026 0.0026
Schistosoma mansoni hypothetical protein 0.0021 0.0072 0.0086
Loa Loa (eye worm) MH2 domain-containing protein 0.0139 0.1098 0.1075
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0062 0.0028
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0062 0.0028
Echinococcus granulosus dna polymerase kappa 0.0021 0.0072 0.0072
Mycobacterium tuberculosis Conserved protein 0.0082 0.0604 0.1002
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0114 0.0122
Loa Loa (eye worm) hypothetical protein 0.005 0.0326 0.0301
Echinococcus granulosus sterol O acyltransferase 1 0.0084 0.0623 0.0623
Loa Loa (eye worm) hypothetical protein 0.0084 0.0623 0.0599
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0268 0.4175
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0654 0.5611 1
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0132 0.1301
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0948
Onchocerca volvulus 0.0082 0.0604 0.276
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.0025 0.0025
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0182 0.0182
Plasmodium vivax ornithine aminotransferase, putative 0.0093 0.07 1
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0654 0.5611 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.006 0.0409 0.0409
Loa Loa (eye worm) hypothetical protein 0.0082 0.0604 0.058
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0072 0.0072
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0072 0.0085
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0329 0.0305
Giardia lamblia DINP protein human, muc B family 0.0021 0.0072 0.0112
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.0132 0.0153
Echinococcus multilocularis thyroid hormone receptor alpha 0.0016 0.0025 0.0025
Mycobacterium leprae Probable lipase LipE 0.0082 0.0604 0.0862
Trypanosoma cruzi glycerol uptake protein, putative 0.0084 0.0623 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0225 0.1852 0.1832
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0084 0.0623 0.4347
Schistosoma mansoni hypothetical protein 0.0016 0.0026 0.0031
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.006 0.0409 0.0409
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.0093 0.0715
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.029 0.2426 0.2426
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.0025 0.0025
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0084 0.0623 0.8828
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0047
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0082 0.0604 0.1002
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0028 0.0132 0.0153
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0134 0.1061 0.1822
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0072 0.0072
Schistosoma mansoni lipoxygenase 0.006 0.0409 0.0484
Brugia malayi MBOAT family protein 0.0084 0.0623 0.0599
Plasmodium falciparum ornithine aminotransferase 0.0093 0.07 1
Onchocerca volvulus 0.0034 0.0182 0.0749
Loa Loa (eye worm) hypothetical protein 0.0084 0.0623 0.0599
Onchocerca volvulus 0.01 0.076 0.3503
Brugia malayi MBOAT family protein 0.0978 0.8442 0.8438
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0329 0.0305
Plasmodium vivax SET domain protein, putative 0.0034 0.0182 0.208
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0948
Loa Loa (eye worm) MBOAT family protein 0.0978 0.8442 0.8438
Onchocerca volvulus 0.0082 0.0604 0.276
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0014 0.0008 0.0009
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0275 0.2291 0.4033
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0016 0.0025 0.0025
Schistosoma mansoni hypothetical protein 0.0838 0.7214 0.8546
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0084 0.0623 0.0623
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0623 0.1036
Entamoeba histolytica Ran family GTPase 0.0024 0.0093 0.0208
Mycobacterium tuberculosis Probable aminotransferase 0.0654 0.5611 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0182 0.0216
Leishmania major glycerol uptake protein, putative 0.0084 0.0623 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0084 0.0623 0.2569
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0072 0.0045
Schistosoma mansoni polycystin 1-related 0.0021 0.0072 0.0086
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0134 0.1061 0.1696
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.029 0.2426 0.2426
Mycobacterium ulcerans hypothetical protein 0.0654 0.5611 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0072 0.0085
Leishmania major glycerol uptake protein, putative 0.0084 0.0623 1
Brugia malayi RNA, U transporter 1 0.0092 0.0688 0.0664
Schistosoma mansoni ap endonuclease 0.0018 0.0047 0.0055
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0026 0.0001
Plasmodium vivax hypothetical protein, conserved 0.0082 0.0604 0.8537
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0016 0.0025 0.0025
Echinococcus granulosus tumor protein p63 0.0344 0.2894 0.2894
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0978 0.8442 0.8442
Schistosoma mansoni RAR-like nuclear receptor 0.0016 0.0025 0.003
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0029 0.0137 0.0137
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0393 0.0368
Loa Loa (eye worm) hypothetical protein 0.0034 0.0182 0.0157
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0093 0.07 0.0676
Loa Loa (eye worm) hypothetical protein 0.0082 0.0604 0.058
Mycobacterium tuberculosis Conserved protein 0.0082 0.0604 0.1002
Trypanosoma cruzi GUP1, putative 0.0084 0.0623 1
Entamoeba histolytica hypothetical protein 0.0035 0.0193 0.0654
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0525 0.4475 0.7959
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0093 0.07 0.1174
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0275 0.2291 0.4033
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0026 0.0026
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0093 0.1301
Brugia malayi Pre-SET motif family protein 0.0225 0.1852 0.1832
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0072 0.0436
Brugia malayi Doublecortin family protein 0.0021 0.0072 0.0047
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0093 0.0208
Echinococcus multilocularis tumor protein p63 0.0344 0.2894 0.2894
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.0025 0.0025
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0047 0.0047
Schistosoma mansoni inositol monophosphatase 0.0044 0.0268 0.0318
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0193 0.0193
Trichomonas vaginalis ran, putative 0.0024 0.0093 0.0084
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0084 0.0623 0.0623
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0093 0.0093
Schistosoma mansoni nuclear hormone receptor 0.0016 0.0025 0.003
Trichomonas vaginalis helicase, putative 0.002 0.0062 0.0028
Brugia malayi Importin beta-1 subunit 0.0032 0.0168 0.0143
Mycobacterium ulcerans lipase LipD 0.0082 0.0604 0.1002
Schistosoma mansoni hypothetical protein 0.0344 0.2896 0.343
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0275 0.2291 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0044 0.0268 0.0398
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0072 0.0045
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0093 0.07 0.1037
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0072 0.0948
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0016 0.0025 0.003
Schistosoma mansoni coup transcription factor 0.0016 0.0025 0.003
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0062 0.0028
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0978 0.8442 0.8442
Echinococcus granulosus beta LACTamase domain containing family member 0.0082 0.0604 0.0604
Loa Loa (eye worm) MBOAT family protein 0.0084 0.0623 0.0599
Brugia malayi beta-lactamase family protein 0.0082 0.0604 0.058
Entamoeba histolytica hypothetical protein 0.0035 0.0193 0.0654
Onchocerca volvulus 0.0058 0.0393 0.1752
Loa Loa (eye worm) hypothetical protein 0.01 0.076 0.0736
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0948
Leishmania major hypothetical protein, conserved 0.0082 0.0604 0.9671
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0275 0.2291 0.4033
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0084 0.0623 0.0738
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0084 0.0623 0.4347
Giardia lamblia Fructose-bisphosphate aldolase 0.0275 0.2291 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0082 0.0604 0.0716
Schistosoma mansoni ran 0.0024 0.0093 0.011
Toxoplasma gondii histone lysine methyltransferase SET1 0.017 0.1373 1
Leishmania major DNA polymerase kappa, putative 0.0021 0.0072 0.0436
Brugia malayi MH2 domain containing protein 0.0139 0.1098 0.1075
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0062 0.0028
Schistosoma mansoni zinc finger protein 0.0978 0.8442 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0044 0.0268 0.1671
Loa Loa (eye worm) hypothetical protein 0.0016 0.0026 0.0001
Leishmania major phosphopantetheinyl transferase-like protein 0.0028 0.0132 0.1474
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0062 0.0028
Echinococcus granulosus o acyltransferase membrane bound domain 0.0084 0.0623 0.0623
Echinococcus granulosus dna polymerase eta 0.0021 0.0072 0.0072
Echinococcus multilocularis dnaJ subfamily B 0.0838 0.7214 0.7214
Mycobacterium leprae conserved hypothetical protein 0.0082 0.0604 0.0862
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0072 0.0046
Trichomonas vaginalis porcupine, putative 0.0084 0.0623 0.1036
Entamoeba histolytica hypothetical protein 0.0028 0.0132 0.0379
Echinococcus multilocularis sterol O acyltransferase 1 0.0084 0.0623 0.0623
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0093 0.07 0.1174
Schistosoma mansoni hypothetical protein 0.0016 0.0026 0.0031
Echinococcus granulosus inositol monophosphatase 1 0.0044 0.0268 0.0268
Trypanosoma brucei glycerol uptake protein, putative 0.0084 0.0623 1
Onchocerca volvulus 0.0089 0.0665 0.3052
Entamoeba histolytica hypothetical protein 0.0035 0.0193 0.0654
Schistosoma mansoni DNA polymerase eta 0.0021 0.0072 0.0085
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.0132 0.1301
Trypanosoma brucei glycerol uptake protein, putative 0.0084 0.0623 1
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0084 0.0623 0.0738
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0182 0.0216
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0084 0.0623 0.0738
Leishmania major GTP-binding protein, putative 0.0024 0.0093 0.081
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0948
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0093 0.07 1
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0093 0.07 0.4924
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0023 0.009 0.009
Echinococcus multilocularis muscleblind protein 0.1156 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0062 0.0028
Echinococcus multilocularis cpg binding protein 0.0094 0.071 0.071
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.076 0.09
Echinococcus granulosus ornithine aminotransferase 0.0093 0.07 0.07
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0062 0.0028
Leishmania major glycerol uptake protein, putative 0.0084 0.0623 1
Schistosoma mansoni thyroid hormone receptor 0.0016 0.0025 0.003
Schistosoma mansoni survival motor neuron protein 0.0058 0.0393 0.0465
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0654 0.5611 1
Echinococcus granulosus zinc finger protein 0.0894 0.7705 0.7705
Echinococcus granulosus snurportin 1 0.0344 0.2896 0.2896
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.0132 0.0641
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0275 0.2291 1
Echinococcus granulosus cpg binding protein 0.0094 0.071 0.071
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0072 0.0397
Onchocerca volvulus 0.0082 0.0604 0.276
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0044 0.0268 0.0988
Brugia malayi Pre-SET motif family protein 0.0034 0.0182 0.0157
Entamoeba histolytica vacuolar protein sorting 26 0.0084 0.0623 0.2569
Trichomonas vaginalis D-aminoacylase, putative 0.0082 0.0604 0.1002
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.0093 0.0715
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.029 0.2426 0.2406
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0025 0.003
Echinococcus multilocularis muscleblind protein 1 0.1156 1 1
Schistosoma mansoni ran 0.0024 0.0093 0.011
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.0025 0.0025
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0062 0.0028
Plasmodium falciparum importin beta, putative 0.0032 0.0168 0.1855
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0093 0.081
Echinococcus granulosus ecdysone induced protein 78C 0.0016 0.0025 0.0025
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.029 0.2426 0.2426
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0141 0.1629
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0016 0.0025 0.0025
Onchocerca volvulus 0.005 0.0326 0.1434
Leishmania major importin beta-1 subunit, putative 0.0026 0.0114 0.1176
Echinococcus multilocularis FTZ F1 alpha 0.0016 0.0025 0.0025
Schistosoma mansoni retinoic acid receptor RXR 0.0016 0.0025 0.003
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0072 0.0072
Echinococcus granulosus mixed lineage leukemia protein mll 0.0023 0.009 0.009
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0023 0.009 0.009
Trypanosoma cruzi glycerol uptake protein, putative 0.0084 0.0623 1
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0093 0.07 0.0829
Entamoeba histolytica hypothetical protein 0.0026 0.0114 0.0302
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.029 0.2426 0.2426
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0168 0.0913
Onchocerca volvulus 0.0256 0.2122 1
Schistosoma mansoni hypothetical protein 0.0058 0.0393 0.0465
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0275 0.2291 0.4033
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0093 0.07 0.1174
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0082 0.0604 0.058
Loa Loa (eye worm) hhat protein 0.0084 0.0623 0.0599
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0082 0.0604 0.1002
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0047 0.0021
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0072 0.0436
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0084 0.0623 0.0738
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0062 0.0028
Schistosoma mansoni hypothetical protein 0.0035 0.0189 0.0224
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0155 0.0155
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0072 0.0072
Trichomonas vaginalis inositol monophosphatase, putative 0.0044 0.0268 0.0398
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0093 0.07 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0044 0.0268 0.0398
Loa Loa (eye worm) inositol-1 0.0044 0.0268 0.0243
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0029 0.0137 0.0137
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0062 0.0028
Schistosoma mansoni sterol O-acyltransferase 1 0.0084 0.0623 0.0738
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0016 0.0025 0.0025
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0948
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0084 0.0623 0.0623
Entamoeba histolytica hypothetical protein, conserved 0.0084 0.0623 0.2569
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0072 0.0948
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0093 0.07 0.1174
Echinococcus multilocularis ornithine aminotransferase 0.0093 0.07 0.07
Loa Loa (eye worm) hypothetical protein 0.0084 0.0623 0.0599
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0062 0.0028
Mycobacterium ulcerans L-lysine aminotransferase 0.0093 0.07 0.1174
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0132 0.193
Echinococcus granulosus Aminotransferase class III 0.0093 0.07 0.07
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0141 0.1438
Mycobacterium ulcerans hypothetical protein 0.0082 0.0604 0.1002
Brugia malayi Hhat protein 0.0084 0.0623 0.0599
Schistosoma mansoni cpg binding protein 0.0094 0.071 0.0841
Loa Loa (eye worm) hypothetical protein 0.0284 0.2371 0.2352
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0072 0.0045
Loa Loa (eye worm) hypothetical protein 0.0051 0.0329 0.0305
Mycobacterium tuberculosis Probable lipase LipE 0.0082 0.0604 0.1002
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0114 0.0122
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.029 0.2426 0.2873
Brugia malayi Inositol-1 0.0044 0.0268 0.0243
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0193 0.0229
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.0132 0.0641
Echinococcus granulosus dnaJ subfamily B 0.0838 0.7214 0.7214
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0193 0.0193
Schistosoma mansoni hypothetical protein 0.0016 0.0026 0.0031
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0182 0.0216
Echinococcus granulosus o acyltransferase membrane bound domain 0.0084 0.0623 0.0623
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0275 0.2291 0.4033
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0072 0.0436
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0141 0.0708
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0275 0.2291 0.4033
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0023 0.009 0.0106
Brugia malayi F/Y-rich N-terminus family protein 0.0028 0.0134 0.0109
Trichomonas vaginalis penicillin-binding protein, putative 0.0082 0.0604 0.1002
Onchocerca volvulus 0.0021 0.0072 0.0224
Brugia malayi hypothetical protein 0.0021 0.0072 0.0047
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0072 0.0436
Leishmania major glycerol uptake protein, putative 0.0084 0.0623 1
Leishmania major DNA polymerase eta, putative 0.0021 0.0072 0.0436
Treponema pallidum fructose-bisphosphate aldolase 0.0275 0.2291 1
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0084 0.0623 0.8828
Entamoeba histolytica hypothetical protein 0.0084 0.0623 0.2569
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0028 0.0132 0.0153
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0084 0.0623 0.0623
Echinococcus multilocularis RUN 0.0021 0.0072 0.0072
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0093 0.0093
Echinococcus granulosus importin subunit beta 1 0.0032 0.0168 0.0168
Echinococcus multilocularis snurportin 1 0.0344 0.2896 0.2896
Plasmodium vivax importin-beta 2, putative 0.0032 0.0168 0.1855
Onchocerca volvulus 0.0084 0.0623 0.2851
Brugia malayi follicle stimulating hormone receptor 0.076 0.6532 0.6523
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0084 0.0623 0.0623
Loa Loa (eye worm) transcription factor SMAD2 0.0139 0.1098 0.1075
Echinococcus granulosus RUN 0.0021 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0046
Mycobacterium ulcerans esterase/lipase LipP 0.0082 0.0604 0.1002
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0948
Trichomonas vaginalis set domain proteins, putative 0.0256 0.2122 0.373
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0072 0.0948
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0084 0.0623 0.0623
Schistosoma mansoni mixed-lineage leukemia protein mll 0.019 0.1549 0.1835
Trichomonas vaginalis penicillin-binding protein, putative 0.0082 0.0604 0.1002
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0084 0.0623 0.0599
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0044 0.0268 0.3395
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0072 0.0046
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0072 0.0436
Echinococcus multilocularis dna polymerase eta 0.0021 0.0072 0.0072
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0082 0.0604 0.0716
Schistosoma mansoni steroid hormone receptor ad4bp 0.0016 0.0025 0.003
Brugia malayi beta-lactamase 0.0082 0.0604 0.058
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0072 0.0072
Brugia malayi beta-lactamase family protein 0.0082 0.0604 0.058
Echinococcus multilocularis Aminotransferase class III 0.0093 0.07 0.07
Echinococcus granulosus o acyltransferase membrane bound domain 0.0084 0.0623 0.0623
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.0132 0.0379
Schistosoma mansoni rab6-interacting 0.0021 0.0072 0.0086
Echinococcus multilocularis inositol monophosphatase 1 0.0044 0.0268 0.0268
Brugia malayi hypothetical protein 0.0035 0.0193 0.0168
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0084 0.0623 0.0623
Toxoplasma gondii hypothetical protein 0.0084 0.0623 0.4347
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0072 0.0436
Treponema pallidum alginate O-acetylation protein (algI) 0.0084 0.0623 0.2569
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0182 0.0182
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0026 0.0001
Loa Loa (eye worm) hypothetical protein 0.0082 0.0604 0.058
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0189 0.0164
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0329 0.0305
Echinococcus granulosus survival motor neuron protein 1 0.0284 0.2371 0.2371
Schistosoma mansoni cpg binding protein 0.0094 0.071 0.0841
Schistosoma mansoni ap endonuclease 0.0018 0.0047 0.0055
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0326 0.0386
Loa Loa (eye worm) histone methyltransferase 0.0029 0.0137 0.0112
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0.0072 0.0397
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.002 0.0062 0.0028
Brugia malayi MBOAT family protein 0.0084 0.0623 0.0599
Loa Loa (eye worm) beta-lactamase 0.0082 0.0604 0.058
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0016 0.0025 0.0025
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0268 0.3845
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0168 0.0168
Trichomonas vaginalis transmembrane protein nessy, putative 0.0084 0.0623 0.1036
Leishmania major glycerol uptake protein, putative 0.0084 0.0623 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0023 0.009 0.009
Leishmania major hypothetical protein, conserved 0.0029 0.0141 0.1629
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0623 0.1036
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0084 0.0623 0.0623
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0084 0.0623 0.0623
Trypanosoma cruzi hypothetical protein, conserved 0.0082 0.0604 0.9671
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0084 0.0623 0.2569
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0182 0.0216
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0182 0.1024
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0937 0.8082 0.8082
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0141 0.1438
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0047 0.0021
Entamoeba histolytica hypothetical protein 0.0035 0.0193 0.0654
Schistosoma mansoni loxhd1 0.0021 0.0072 0.0086
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0093 0.07 0.1037
Brugia malayi hypothetical protein 0.0019 0.005 0.0025
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0016 0.0025 0.003
Schistosoma mansoni lipoxygenase 0.0021 0.0072 0.0086
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0072 0.0047
Trichomonas vaginalis D-aminoacylase, putative 0.0082 0.0604 0.1002
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0275 0.2291 0.4033
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0182 0.0182
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0047
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0093 0.081
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0093 0.07 0.1174
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0084 0.0623 0.0623
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0268 0.3845
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.076 0.0736
Brugia malayi hypothetical protein 0.0029 0.0141 0.0115
Echinococcus granulosus muscleblind protein 0.1156 1 1
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0093 0.07 0.1037
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0072 0.0045
Loa Loa (eye worm) hypothetical protein 0.0035 0.0189 0.0164
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0016 0.0025 0.0025
Schistosoma mansoni hypothetical protein 0.0016 0.0026 0.0031
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0062 0.0028
Trypanosoma brucei hypothetical protein, conserved 0.0082 0.0604 0.9688
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0047 0.0535
Loa Loa (eye worm) hypothetical protein 0.0032 0.0168 0.0143
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.029 0.2426 0.2406
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0268 0.3845
Loa Loa (eye worm) hypothetical protein 0.1156 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0072 0.0948
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0026 0.0026
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0072 0.0072
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0044 0.0268 0.0398
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0093 0.0068
Schistosoma mansoni cpg binding protein 0.0089 0.0665 0.0788
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0082 0.0604 0.1002
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0275 0.2291 0.4033
Brugia malayi MBOAT family protein 0.0084 0.0623 0.0599
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.1156 1 1
Brugia malayi hypothetical protein 0.0021 0.0072 0.0047
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0016 0.0025 0.0025
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0134 0.1061 0.1822
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0623 0.1036
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0016 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0082 0.0604 0.058
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0082 0.0604 0.058
Trypanosoma brucei unspecified product 0.0021 0.0072 0.0948
Trypanosoma cruzi GUP1, putative 0.0084 0.0623 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0141 0.0115
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0084 0.0623 0.2569
Echinococcus multilocularis ornithine aminotransferase 0.0093 0.07 0.07
Brugia malayi MBOAT family protein 0.0084 0.0623 0.0599
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0948
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0072 0.0045
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0026 0.0026
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.076 0.076
Echinococcus multilocularis beta LACTamase domain containing family member 0.0082 0.0604 0.0604
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0072 0.0072
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0062 0.0028
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.029 0.2426 0.2873
Echinococcus multilocularis survival motor neuron protein 1 0.0284 0.2371 0.2371
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0084 0.0623 0.0599
Mycobacterium tuberculosis Conserved protein 0.0082 0.0604 0.1002
Leishmania major hypothetical protein, conserved 0.0084 0.0623 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0047 0.0047
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0016 0.0025 0.003
Mycobacterium tuberculosis Probable esterase LipL 0.0082 0.0604 0.1002
Schistosoma mansoni rab6-interacting 0.0021 0.0072 0.0086
Mycobacterium ulcerans beta-lactamase 0.0082 0.0604 0.1002
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0141 0.2077
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0026 0.0001
Schistosoma mansoni importin beta-1 0.0032 0.0168 0.0199
Loa Loa (eye worm) hypothetical protein 0.0084 0.0623 0.0599
Loa Loa (eye worm) hhat protein 0.0084 0.0623 0.0599
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0093 0.07 0.1174
Schistosoma mansoni inositol monophosphatase 0.0044 0.0268 0.0318
Brugia malayi hypothetical protein 0.0284 0.2371 0.2352
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0039 0.0228 0.0326
Echinococcus granulosus GPCR family 2 0.0016 0.0026 0.0026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.029 0.2426 0.2873
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0039 0.0228 0.0176
Brugia malayi diacylglycerol acyltransferase 0.0084 0.0623 0.0599
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0016 0.0025 0.0025
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0093 0.0352
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0062 0.0028

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 17.34 uM Inhibition of aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate after 30 mins by fluorescence-based colorimetric analysis ChEMBL. 21703734

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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