Detailed information for compound 1281204

Basic information

Technical information
  • TDR Targets ID: 1281204
  • Name: 2-methyl-N-[6-methyl-3-(4-methylpiperidine-1- carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen- 2-yl]benzamide
  • MW: 410.572 | Formula: C24H30N2O2S
  • H donors: 1 H acceptors: 2 LogP: 6.09 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCc2c(C1)sc(c2C(=O)N1CCC(CC1)C)NC(=O)c1ccccc1C
  • InChi: 1S/C24H30N2O2S/c1-15-10-12-26(13-11-15)24(28)21-19-9-8-16(2)14-20(19)29-23(21)25-22(27)18-7-5-4-6-17(18)3/h4-7,15-16H,8-14H2,1-3H3,(H,25,27)
  • InChiKey: RCVKRSHBRHZWQY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methyl-N-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide
  • 2-methyl-N-[6-methyl-3-[(4-methyl-1-piperidinyl)-oxomethyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide
  • 2-methyl-N-[6-methyl-3-(4-methylpiperidin-1-yl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
  • Oprea1_733607
  • EU-0045131
  • NCGC00099716-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis notch 0.0071 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0219 0.0504 0.0504
Onchocerca volvulus 0.0071 0.0088 0.1278
Mycobacterium tuberculosis Possible haloalkane dehalogenase DhaA (1-chlorohexane halidohydrolase) 0.0042 0.0007 0.0016
Mycobacterium ulcerans lignin peroxidase LipJ 0.0042 0.0007 0.0016
Loa Loa (eye worm) hypothetical protein 0.0219 0.0504 0.0504
Schistosoma mansoni cell polarity protein 0.0071 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Mycobacterium tuberculosis Probable homoserine O-acetyltransferase MetA (homoserine O-trans-acetylase) (homoserine transacetylase) (HTA) 0.0042 0.0007 0.0016
Loa Loa (eye worm) hypothetical protein 0.0219 0.0504 0.0504
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0007 1
Loa Loa (eye worm) animal heme peroxidase 0.0219 0.0504 0.0504
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Echinococcus granulosus neurogenic locus notch protein 4 0.0071 0.0088 0.0088
Leishmania major hydrolase, alpha/beta fold family, putative 0.0042 0.0007 0.5
Brugia malayi Animal haem peroxidase family protein 0.0219 0.0504 0.0504
Plasmodium falciparum epoxide hydrolase 1 0.0042 0.0007 1
Loa Loa (eye worm) hypothetical protein 0.0219 0.0504 0.0504
Mycobacterium ulcerans exported protease 0.0042 0.0007 0.0016
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0007 1
Mycobacterium ulcerans epoxide hydrolase EphF 0.0042 0.0007 0.0016
Mycobacterium tuberculosis Probable haloalkane dehalogenase 0.0042 0.0007 0.0016
Brugia malayi Cadherin domain containing protein 0.0071 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0042 0.0007 0.0097
Echinococcus multilocularis abhydrolase domain containing protein 3 0.0042 0.0007 0.0007
Onchocerca volvulus 0.0071 0.0088 0.1278
Mycobacterium tuberculosis Probable exported protease 0.0042 0.0007 0.0016
Brugia malayi Calcium binding EGF domain containing protein 0.0071 0.0088 0.0088
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.3612 1 1
Echinococcus granulosus delta-like protein 1 0.0071 0.0088 0.0088
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0104 0.0104
Mycobacterium ulcerans hydrolase 0.0042 0.0007 0.0016
Loa Loa (eye worm) RNA binding protein 0.0076 0.0104 0.0104
Mycobacterium tuberculosis Conserved protein 0.0042 0.0007 0.0016
Loa Loa (eye worm) hypothetical protein 0.0219 0.0504 0.0504
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0042 0.0007 0.0097
Echinococcus granulosus notch 0.0071 0.0088 0.0088
Brugia malayi EGF-like domain containing protein 0.0071 0.0088 0.0088
Trypanosoma cruzi hydrolase-like protein, putative 0.0042 0.0007 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0057 0.0057
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0042 0.0007 0.0097
Leishmania major serine peptidase, putative,serine peptidase, Clan SC, Family S9D 0.0042 0.0007 0.5
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0007 1
Brugia malayi EGF-like domain containing protein 0.0071 0.0088 0.0088
Mycobacterium leprae POSSIBLE EPOXIDE HYDROLASE EPHE (EPOXIDE HYDRATASE) (ARENE-OXIDE HYDRATASE) 0.0042 0.0007 1
Schistosoma mansoni slit 0.0071 0.0088 0.0088
Echinococcus multilocularis neurogenic locus notch protein 4 0.0071 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0042 0.0007 0.0097
Brugia malayi Muscle positioning protein 4 0.0071 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Loa Loa (eye worm) notch protein 0.0071 0.0088 0.0088
Trypanosoma cruzi hydrolase, alpha/beta fold family, putative 0.0042 0.0007 1
Onchocerca volvulus Peroxidasin homolog 0.0219 0.0504 0.7301
Echinococcus granulosus neurogenic locus notch protein 0.0071 0.0088 0.0088
Brugia malayi hydrolase, alpha/beta fold family protein 0.0042 0.0007 0.0007
Chlamydia trachomatis phosphoglycolate phosphatase 0.0039 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Echinococcus granulosus protein jagged 1 0.0071 0.0088 0.0088
Brugia malayi Animal haem peroxidase family protein 0.0219 0.0504 0.0504
Echinococcus multilocularis abhydrolase domain containing protein 11 0.0042 0.0007 0.0007
Echinococcus multilocularis neurogenic locus protein delta 0.0071 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0219 0.0504 0.0504
Brugia malayi Peroxidasin 0.0219 0.0504 0.0504
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0057 0.0057
Onchocerca volvulus 0.0071 0.0088 0.1278
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0104 0.0104
Brugia malayi EGF-like domain containing protein 0.0071 0.0088 0.0088
Brugia malayi Calcium binding EGF domain containing protein 0.0071 0.0088 0.0088
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.1523 0.4152 1
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.0042 0.0007 0.0016
Echinococcus multilocularis abhydrolase domain containing 3 0.0042 0.0007 0.0007
Brugia malayi Calcium binding EGF domain containing protein 0.0071 0.0088 0.0088
Echinococcus multilocularis neurogenic locus protein delta 0.0071 0.0088 0.0088
Schistosoma mansoni peroxidasin 0.0219 0.0504 0.0504
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0058 0.0058
Echinococcus multilocularis tumor protein p63 0.0408 0.1032 0.1032
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Treponema pallidum phosphoglycolate phosphatase 0.0039 0 0.5
Onchocerca volvulus Lipase homolog 0.0042 0.0007 0.0097
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0104 0.0104
Onchocerca volvulus Lipase homolog 0.0042 0.0007 0.0097
Echinococcus granulosus neurogenic locus notch protein 0.0071 0.0088 0.0088
Echinococcus multilocularis lysosomal acid lipase:cholesteryl ester 0.0042 0.0007 0.0007
Treponema pallidum phosphoglycolate phosphatase 0.0039 0 0.5
Echinococcus granulosus slit 2 protein 0.0071 0.0088 0.0088
Plasmodium falciparum acid cluster protein 33 homologue, putative 0.0042 0.0007 1
Mycobacterium ulcerans hypothetical protein 0.0042 0.0007 0.0016
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0007 1
Onchocerca volvulus 0.0071 0.0088 0.1278
Brugia malayi hydrolase, alpha/beta fold family protein 0.0042 0.0007 0.0007
Mycobacterium ulcerans hypothetical protein 0.0042 0.0007 0.0016
Mycobacterium tuberculosis Possible haloalkane dehalogenase 0.0042 0.0007 0.0016
Onchocerca volvulus Putative cubilin 0.0071 0.0088 0.1278
Schistosoma mansoni hypothetical protein 0.0071 0.0088 0.0088
Brugia malayi TAR-binding protein 0.0076 0.0104 0.0104
Mycobacterium leprae POSSIBLE SECRETED PROTEASE 0.0042 0.0007 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0593 0.0593
Schistosoma mansoni notch 0.0071 0.0088 0.0088
Brugia malayi Cadherin domain containing protein 0.0071 0.0088 0.0088
Echinococcus granulosus abhydrolase domain containing protein 11 0.0042 0.0007 0.0007
Echinococcus granulosus MAP kinase activated protein kinase 2 0.3612 1 1
Onchocerca volvulus Chorion peroxidase homolog 0.0219 0.0504 0.7301
Mycobacterium ulcerans bromoperoxidase BpoC 0.0042 0.0007 0.0016
Loa Loa (eye worm) ab-hydrolase associated lipase region family protein 0.0042 0.0007 0.0007
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0104 0.0104
Brugia malayi EGF-like domain containing protein 0.0071 0.0088 0.0088
Entamoeba histolytica hypothetical protein 0.0042 0.0007 1
Leishmania major hypothetical protein, conserved 0.0042 0.0007 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0219 0.0504 0.0504
Echinococcus multilocularis abhydrolase domain containing protein 0.0042 0.0007 0.0007
Onchocerca volvulus 0.0071 0.0088 0.1278
Echinococcus multilocularis neurogenic locus notch protein 0.0071 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Schistosoma mansoni hypothetical protein 0.0071 0.0088 0.0088
Onchocerca volvulus Peroxidase homolog 0.0219 0.0504 0.7301
Schistosoma mansoni notch 0.0071 0.0088 0.0088
Mycobacterium ulcerans epoxide hydrolase EphE 0.0042 0.0007 0.0016
Schistosoma mansoni peroxidasin 0.0219 0.0504 0.0504
Onchocerca volvulus Dual oxidase homolog 0.0219 0.0504 0.7301
Onchocerca volvulus 0.006 0.0057 0.0824
Onchocerca volvulus 0.0219 0.0504 0.7301
Mycobacterium tuberculosis Probable carboxylesterase CaeA 0.0042 0.0007 0.0016
Leishmania major hydrolase-like protein 0.0042 0.0007 0.5
Echinococcus granulosus peroxidasin 0.0219 0.0504 0.0504
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0042 0.0007 1
Mycobacterium leprae Probable homoserine o-acetyltransferase MetA 0.0042 0.0007 1
Echinococcus granulosus protein jagged 2 0.0071 0.0088 0.0088
Brugia malayi Animal haem peroxidase family protein 0.0219 0.0504 0.0504
Mycobacterium ulcerans acyl-CoA synthetase 0.0042 0.0007 0.0016
Schistosoma mansoni notch 0.0071 0.0088 0.0088
Schistosoma mansoni notch 0.0071 0.0088 0.0088
Echinococcus multilocularis slit 2 protein 0.0071 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0042 0.0007 0.0007
Mycobacterium ulcerans non-heme haloperoxidase Hpx 0.0042 0.0007 0.0016
Brugia malayi Animal haem peroxidase family protein 0.0219 0.0504 0.0504
Brugia malayi UPF0017 protein CG3488 0.0042 0.0007 0.0007
Trichomonas vaginalis set domain proteins, putative 0.0286 0.069 1
Mycobacterium leprae Probable exported protease 0.0042 0.0007 1
Echinococcus multilocularis fibropellin Ia 0.0071 0.0088 0.0088
Brugia malayi hypothetical protein 0.0219 0.0504 0.0504
Trypanosoma cruzi hydrolase-like protein, putative 0.0042 0.0007 1
Mycobacterium ulcerans oxidoreductase 0.0042 0.0007 0.0016
Loa Loa (eye worm) hypothetical protein 0.0041 0.0005 0.0005
Mycobacterium ulcerans lipase/esterase 0.0042 0.0007 0.0016
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0007 1
Onchocerca volvulus Slit protein homolog 0.0071 0.0088 0.1278
Leishmania major hydrolase-like protein,esterase-like protein 0.0042 0.0007 0.5
Toxoplasma gondii EGF family domain-containing protein 0.0071 0.0088 1
Mycobacterium ulcerans peroxidase BpoB 0.0042 0.0007 0.0016
Echinococcus granulosus neurogenic locus protein delta 0.0071 0.0088 0.0088
Loa Loa (eye worm) blistered cuticle protein 3 0.0219 0.0504 0.0504
Echinococcus multilocularis lysosomal acid lipase:cholesteryl ester 0.0042 0.0007 0.0007
Echinococcus granulosus neural cadherin 0.0071 0.0088 0.0088
Schistosoma mansoni family S33 non-peptidase homologue (S33 family) 0.0042 0.0007 0.0007
Brugia malayi notch-like transmembrane receptor 0.0071 0.0088 0.0088
Echinococcus multilocularis fat cadherin tumor suppressor 0.0071 0.0088 0.0088
Trypanosoma brucei hydrolase, alpha/beta fold family, putative 0.0042 0.0007 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0104 0.0104
Schistosoma mansoni hypothetical protein 0.0041 0.0005 0.0005
Echinococcus multilocularis peroxidasin 0.0219 0.0504 0.0504
Echinococcus multilocularis protein jagged 1 0.0071 0.0088 0.0088
Brugia malayi Animal haem peroxidase family protein 0.0219 0.0504 0.0504
Brugia malayi RNA binding protein 0.0076 0.0104 0.0104
Onchocerca volvulus Peroxidase homolog 0.0219 0.0504 0.7301
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0104 0.0104
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0007 1
Loa Loa (eye worm) hypothetical protein 0.0219 0.0504 0.0504
Schistosoma mansoni notch 0.0071 0.0088 0.0088
Schistosoma mansoni hypothetical protein 0.0071 0.0088 0.0088
Loa Loa (eye worm) Notch2 0.0071 0.0088 0.0088
Leishmania major hydrolase-like protein,esterase-like protein 0.0042 0.0007 0.5
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.3612 1 1
Leishmania major hypothetical protein, conserved 0.0042 0.0007 0.5
Schistosoma mansoni hydrolase 0.0042 0.0007 0.0007
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0042 0.0007 0.0097
Schistosoma mansoni serine/threonine protein kinase 0.3612 1 1
Entamoeba histolytica alpha/beta hydrolase fold protein, putative 0.0042 0.0007 1
Schistosoma mansoni hypothetical protein 0.0071 0.0088 0.0088
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0104 0.0104
Echinococcus granulosus tumor protein p63 0.0408 0.1032 0.1032
Echinococcus granulosus abhydrolase domain containing protein 3 0.0042 0.0007 0.0007
Trypanosoma cruzi hydrolase-like protein 0.0042 0.0007 1
Mycobacterium leprae Probable exported protease 0.0042 0.0007 1
Echinococcus multilocularis protein jagged 2 0.0071 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.006 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0219 0.0504 0.0504
Echinococcus granulosus abhydrolase domain containing protein 0.0042 0.0007 0.0007
Echinococcus granulosus tar DNA binding protein 0.0076 0.0104 0.0104
Mycobacterium ulcerans 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD 0.0042 0.0007 0.0016
Echinococcus granulosus protein jagged 2 0.0071 0.0088 0.0088
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0071 0.0088 0.1278
Onchocerca volvulus Epoxide hydrolase 1 homolog 0.0042 0.0007 0.0097
Plasmodium falciparum alpha/beta hydrolase, putative 0.0042 0.0007 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0219 0.0504 0.0504
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0071 0.0088 0.0088
Schistosoma mansoni hypothetical protein 0.0071 0.0088 0.0088
Onchocerca volvulus Neurogenic locus notch homolog 0.0071 0.0088 0.1278
Mycobacterium ulcerans hydrolase 0.0042 0.0007 0.0016
Echinococcus multilocularis protein jagged 1 0.0071 0.0088 0.0088
Brugia malayi EGF-like domain containing protein 0.0071 0.0088 0.0088
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0058 0.0058
Mycobacterium ulcerans epoxide hydrolase EphA 0.1523 0.4152 1
Loa Loa (eye worm) animal heme peroxidase 0.0219 0.0504 0.0504
Onchocerca volvulus 0.0219 0.0504 0.7301
Schistosoma mansoni laminin gamma-3 chain 0.0071 0.0088 0.0088
Loa Loa (eye worm) hydrolase 0.0042 0.0007 0.0007
Brugia malayi EGF-like domain containing protein 0.0071 0.0088 0.0088
Giardia lamblia ENC6 protein 0.0042 0.0007 0.0762
Echinococcus granulosus lysosomal acid lipase:cholesteryl ester 0.0042 0.0007 0.0007
Mycobacterium ulcerans hypothetical protein 0.0042 0.0007 0.0016
Loa Loa (eye worm) hypothetical protein 0.0219 0.0504 0.0504
Brugia malayi Alpha/beta hydrolase 0.0042 0.0007 0.0007
Onchocerca volvulus Peroxidasin homolog 0.0219 0.0504 0.7301
Echinococcus multilocularis abhydrolase domain containing protein 16A 0.0042 0.0007 0.0007
Brugia malayi Blistered cuticle protein 3 0.0219 0.0504 0.0504
Mycobacterium ulcerans haloalkane dehalogenase 0.0042 0.0007 0.0016
Echinococcus granulosus protein jagged 1 0.0071 0.0088 0.0088
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0219 0.0504 0.0504
Brugia malayi Delta serrate ligand family protein 0.0071 0.0088 0.0088
Brugia malayi EGF-like domain containing protein 0.0071 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Giardia lamblia High cysteine protein 0.0071 0.0088 1
Schistosoma mansoni septate junction protein 0.0071 0.0088 0.0088
Entamoeba histolytica alpha/beta hydrolase domain protein, putative 0.0042 0.0007 1
Schistosoma mansoni notch 0.0071 0.0088 0.0088
Brugia malayi alpha/beta hydrolase 0.0042 0.0007 0.0007
Mycobacterium tuberculosis Possible epoxide hydrolase EphE (epoxide hydratase) (arene-oxide hydratase) 0.0042 0.0007 0.0016
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0005 0.0005
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0058 0.0058
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0042 0.0007 0.0097
Echinococcus multilocularis neural cadherin 0.0071 0.0088 0.0088
Trichomonas vaginalis hydrolase, putative 0.0042 0.0007 0.0097
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Mycobacterium tuberculosis Possible epoxide hydrolase EphF (epoxide hydratase) (arene-oxide hydratase) 0.0042 0.0007 0.0016
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Mycobacterium tuberculosis Probable oxidoreductase 0.0042 0.0007 0.0016
Echinococcus multilocularis neurogenic locus notch protein 0.0071 0.0088 0.0088
Brugia malayi Pre-SET motif family protein 0.0251 0.0593 0.0593
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0042 0.0007 0.0097
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0042 0.0007 0.0007
Mycobacterium ulcerans exported protease 0.0042 0.0007 0.0016
Leishmania major hydrolase, alpha/beta fold family-like protein 0.0042 0.0007 0.5
Trypanosoma brucei hydrolase, alpha/beta fold family, putative 0.0042 0.0007 1
Echinococcus granulosus fibropellin Ia 0.0071 0.0088 0.0088
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0071 0.0088 0.0088
Schistosoma mansoni hypothetical protein 0.0071 0.0088 0.0088
Mycobacterium ulcerans epoxide hydrolase EphB 0.0042 0.0007 0.0016
Schistosoma mansoni hypothetical protein 0.0071 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0219 0.0504 0.0504
Mycobacterium ulcerans haloalkane dehalogenase 0.0042 0.0007 0.0016
Plasmodium vivax alpha/beta hydrolase, putative 0.0042 0.0007 1
Loa Loa (eye worm) animal heme peroxidase 0.0219 0.0504 0.0504
Loa Loa (eye worm) hypothetical protein 0.0219 0.0504 0.0504
Mycobacterium ulcerans proline iminopeptidase PIP 0.0042 0.0007 0.0016
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Brugia malayi Hypothetical 54.7 kDa protein F37A4.1 in chromosome III 0.0042 0.0007 0.0007
Mycobacterium ulcerans lipase/esterase 0.0042 0.0007 0.0016
Onchocerca volvulus 0.0219 0.0504 0.7301
Loa Loa (eye worm) hypothetical protein 0.0219 0.0504 0.0504
Mycobacterium ulcerans hypothetical protein 0.0042 0.0007 0.0016
Mycobacterium tuberculosis Possible peroxidase BpoB (non-haem peroxidase) 0.0042 0.0007 0.0016
Onchocerca volvulus 0.0286 0.069 1
Mycobacterium ulcerans homoserine O-acetyltransferase 0.0042 0.0007 0.0016
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Brugia malayi GCC2 and GCC3 family protein 0.0071 0.0088 0.0088
Wolbachia endosymbiont of Brugia malayi phosphatase 0.0039 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.0088
Loa Loa (eye worm) abhydrolase domain-containing protein 2 0.0042 0.0007 0.0007
Mycobacterium ulcerans short chain dehydrogenase 0.0042 0.0007 0.0016

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (binding) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

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

No literature references available for this target.

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