Detailed information for compound 1286213

Basic information

Technical information
  • TDR Targets ID: 1286213
  • Name: BAS 02232927
  • MW: 374.523 | Formula: C18H22N4OS2
  • H donors: 1 H acceptors: 3 LogP: 3.55 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1c2cc(C)c(cc2C(=CC1(C)C)C)C)CSc1nnc(s1)N
  • InChi: 1S/C18H22N4OS2/c1-10-6-13-12(3)8-18(4,5)22(14(13)7-11(10)2)15(23)9-24-17-21-20-16(19)25-17/h6-8H,9H2,1-5H3,(H2,19,20)
  • InChiKey: GFRBEVJGVMCGCJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • Oprea1_285531
  • ZINC01149148
  • 2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-1-(2,2,4,6,7-pentamethyl-2H-quinolin-1-yl)-ethanone
  • MLS000551148
  • SMR000177484
  • Oprea1_451705
  • EU-0044900
  • STK004300

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Giardia lamblia Hypothetical protein 0.0006 0.0036 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0052
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0071 0.0051
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0052
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0121 0.2379 0.3473
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0121 0.2379 1
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Echinococcus multilocularis zinc finger protein Ran binding 0.0121 0.2379 0.2379
Loa Loa (eye worm) RING finger protein 20 0.0006 0.0036 0.0052
Plasmodium vivax hypothetical protein, conserved 0.034 0.6851 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.034 0.6851 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0071 0.0051
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0071 0.0051
Schistosoma mansoni smad1 5 8 and 0.001 0.0111 0.0111
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1039 0.1039
Echinococcus multilocularis cpg binding protein 0.0037 0.0659 0.0659
Loa Loa (eye worm) Smad1 0.001 0.0111 0.0162
Echinococcus granulosus E3 ubiquitin protein ligase mib1 0.0006 0.0036 0.0036
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Brugia malayi YY1-associated factor 2 0.0121 0.2379 0.3473
Echinococcus granulosus ring and YY1 binding protein 0.0121 0.2379 0.2379
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1039 0.1516
Schistosoma mansoni smad1 5 8 and 0.001 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0052
Leishmania major hypothetical protein, conserved 0.0121 0.2379 1
Schistosoma mansoni smad1 5 8 and 0.001 0.0111 0.0111
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.0121 0.2379 0.3473
Entamoeba histolytica zinc finger domain containing protein 0.0006 0.0036 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0071 0.0051
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0121 0.2379 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1039 0.1039
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0121 0.2379 0.3473
Brugia malayi MH1 domain containing protein 0.0005 0.0021 0.0031
Brugia malayi Zinc finger protein 183 homolog 0.0006 0.0036 0.0052
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1039 0.1039
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0071 0.0051
Giardia lamblia Zinc finger domain 0.0006 0.0036 0.5
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0129 0.0189
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0012 0.0012
Trypanosoma cruzi WLM domain containing protein, putative 0.0121 0.2379 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1039 0.1516
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0121 0.2379 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0071 0.0051
Echinococcus granulosus Zinc finger RanBP2 type 0.0121 0.2379 0.2379
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0111 0.0111
Toxoplasma gondii ran binding protein 0.0121 0.2379 0.3438
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0071 0.0051
Echinococcus granulosus RING finger and transmembrane domain containing protein 0.0006 0.0036 0.0036
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0071 0.0051
Entamoeba histolytica zinc finger domain containing protein 0.0006 0.0036 0.5
Brugia malayi brahma associated protein 60 kDa 0.034 0.6851 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0086 0.0086
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0121 0.2379 0.3473
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.034 0.6851 1
Loa Loa (eye worm) RiNg Finger protein family member 0.0006 0.0036 0.0052
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0127 0.0185
Schistosoma mansoni hypothetical protein 0.034 0.6851 0.6851
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0052
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0086 0.0086
Entamoeba histolytica zinc finger domain containing protein 0.0006 0.0036 0.5
Giardia lamblia E3 ubiquitin ligase for Rad6p required for the ubiquitination of histone H2B 0.0006 0.0036 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0071 0.0051
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0121 0.2379 1
Brugia malayi brahma associated protein 60 kDa 0.034 0.6851 1
Chlamydia trachomatis DNA topoisomerase I 0.034 0.6851 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0121 0.2379 1
Onchocerca volvulus 0.0121 0.2379 0.3473
Trypanosoma brucei hypothetical protein, conserved 0.0121 0.2379 1
Giardia lamblia Hypothetical protein 0.0006 0.0036 0.5
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Echinococcus granulosus ring finger protein 113a 0.0006 0.0036 0.0036
Leishmania major hypothetical protein, conserved 0.0121 0.2379 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0121 0.2379 0.3473
Echinococcus multilocularis Smad4 0.001 0.0111 0.0111
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0005 0.0021 0.0031
Schistosoma mansoni hypothetical protein 0.034 0.6851 0.6851
Chlamydia trachomatis SWIB complex protein 0.034 0.6851 0.5
Giardia lamblia Hypothetical protein 0.0006 0.0036 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0121 0.2379 1
Echinococcus granulosus E3 ubiquitin protein ligase RNF146 0.0006 0.0036 0.0036
Trypanosoma cruzi WLM domain containing protein, putative 0.0121 0.2379 1
Entamoeba histolytica zinc finger domain containing protein 0.0006 0.0036 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2855 0.4168
Brugia malayi B-box zinc finger family protein 0.0006 0.0036 0.0052
Giardia lamblia Ribonuclease 0.0006 0.0036 0.5
Echinococcus granulosus cpg binding protein 0.0037 0.0659 0.0659
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0121 0.2379 0.3438
Schistosoma mansoni hypothetical protein 0.0121 0.2379 0.2379
Echinococcus granulosus E3 ubiquitin protein ligase LRSAM1 0.0006 0.0036 0.0036
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0619 0.0903
Brugia malayi CXXC zinc finger family protein 0.0035 0.0619 0.0903
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Brugia malayi MH2 domain containing protein 0.0144 0.2855 0.4168
Onchocerca volvulus 0.0006 0.0036 0.0052
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0071 0.0051
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0071 0.0051
Schistosoma mansoni zinc finger protein 0.0006 0.0036 0.0036
Schistosoma mansoni inhibitor of apoptosis 1 diap1 0.0006 0.0036 0.0036
Leishmania major hypothetical protein, conserved 0.0121 0.2379 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1039 0.1039
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Echinococcus multilocularis ring finger protein 113a 0.0006 0.0036 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0071 0.0051
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0052
Echinococcus granulosus SWI:SNF matrix associated 0.034 0.6851 0.6851
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1039 0.1039
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1039 0.1039
Loa Loa (eye worm) hypothetical protein 0.0121 0.2379 0.3473
Schistosoma mansoni hypothetical protein 0.0006 0.0036 0.0036
Schistosoma mansoni smad 0.001 0.0111 0.0111
Echinococcus multilocularis 0.0006 0.0036 0.0036
Echinococcus granulosus E3 ubiquitin protein ligase Bre1 0.0006 0.0036 0.0036
Loa Loa (eye worm) nuclear factor I 0.0005 0.0021 0.0031
Entamoeba histolytica zinc finger domain containing protein 0.0006 0.0036 0.5
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Brugia malayi SWIB/MDM2 domain containing protein 0.034 0.6851 1
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Entamoeba histolytica zinc finger domain containing protein 0.0006 0.0036 0.5
Giardia lamblia Ser/Thr protein kinase 0.0006 0.0036 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1039 0.1039
Schistosoma mansoni serine/threonine protein kinase 0.0006 0.0036 0.0036
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0111 0.0111
Onchocerca volvulus 0.034 0.6851 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1413 0.1413
Brugia malayi hypothetical protein 0.0006 0.0036 0.0052
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0052
Echinococcus multilocularis RING finger and transmembrane domain containing protein 0.0006 0.0036 0.0036
Entamoeba histolytica hypothetical protein 0.0006 0.0036 0.5
Echinococcus granulosus E3 ubiquitin protein ligase MYLIP 0.0006 0.0036 0.0036
Brugia malayi hypothetical protein 0.0006 0.0036 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.034 0.6851 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.034 0.6851 1
Onchocerca volvulus 0.0121 0.2379 0.3473
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0111 0.0162
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0052
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0121 0.2379 1
Echinococcus multilocularis ring finger protein 170 0.0006 0.0036 0.0036
Giardia lamblia Hypothetical protein 0.0006 0.0036 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0071 0.0051
Schistosoma mansoni peter pan-related 0.0006 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0052
Onchocerca volvulus 0.0006 0.0036 0.0052
Schistosoma mansoni hypothetical protein 0.0006 0.0036 0.0036
Echinococcus granulosus Upstream activation factor subunit UAF30 0.034 0.6851 0.6851
Brugia malayi Zinc finger, C2H2 type family protein 0.0006 0.0036 0.0052
Echinococcus multilocularis RING finger protein 185 0.0006 0.0036 0.0036
Schistosoma mansoni hypothetical protein 0.034 0.6851 0.6851
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0121 0.2379 1
Brugia malayi RING finger protein 20 0.0006 0.0036 0.0052
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1252 0.1785
Echinococcus granulosus RING finger protein 185 0.0006 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0052
Echinococcus multilocularis E3 ubiquitin protein ligase Bre1 0.0006 0.0036 0.0036
Schistosoma mansoni brg-1 associated factor 0.034 0.6851 0.6851
Echinococcus multilocularis E3 ubiquitin protein ligase LRSAM1 0.0006 0.0036 0.0036
Entamoeba histolytica zinc finger domain containing protein 0.0006 0.0036 0.5
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.034 0.6851 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0129 0.0129
Onchocerca volvulus 0.0006 0.0036 0.0052
Echinococcus granulosus zinc finger protein Ran binding 0.0121 0.2379 0.2379
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0086 0.0086
Schistosoma mansoni ring finger protein 151 0.0006 0.0036 0.0036
Entamoeba histolytica zinc finger domain containing protein 0.0006 0.0036 0.5
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0121 0.2379 0.3438
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0111 0.0111
Echinococcus multilocularis smad 0.001 0.0111 0.0111
Brugia malayi hypothetical protein 0.0006 0.0036 0.0052
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Schistosoma mansoni peter pan-related 0.0006 0.0036 0.0036
Echinococcus granulosus cell growth regulator with ring finger domain 0.0006 0.0036 0.0036
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0121 0.2379 0.2379
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0071 0.0051
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0052
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Echinococcus granulosus ring finger protein 170 0.0006 0.0036 0.0036
Onchocerca volvulus 0.0035 0.0619 0.0903
Leishmania major hypothetical protein, conserved 0.0121 0.2379 1
Brugia malayi MH1 domain containing protein 0.001 0.0111 0.0162
Onchocerca volvulus 0.0121 0.2379 0.3473
Schistosoma mansoni cpg binding protein 0.0035 0.0619 0.0619
Schistosoma mansoni mind bomb 0.0006 0.0036 0.0036
Giardia lamblia Kinase 0.0006 0.0036 0.5
Giardia lamblia Kinase, NEK 0.0006 0.0036 0.5
Onchocerca volvulus 0.0006 0.0036 0.0052
Brugia malayi Hypothetical RING finger protein C16C10.7 in chromosome III 0.0006 0.0036 0.0052
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.034 0.6851 0.6851
Schistosoma mansoni RNA binding protein 0.0121 0.2379 0.2379
Onchocerca volvulus Putative RING finger protein 207 0.0006 0.0036 0.0052
Brugia malayi hypothetical protein 0.0006 0.0036 0.0052
Onchocerca volvulus 0.0121 0.2379 0.3473
Brugia malayi hypothetical protein 0.0006 0.0036 0.0052
Schistosoma mansoni Smad4 0.001 0.0111 0.0111
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0121 0.2379 0.2379
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Entamoeba histolytica SPRY domain protein 0.0006 0.0036 0.5
Echinococcus granulosus Smad4 0.001 0.0111 0.0111
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0121 0.2379 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2855 0.4168
Brugia malayi Neuralized family protein 0.0006 0.0036 0.0052
Leishmania major hypothetical protein, conserved 0.0121 0.2379 1
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.034 0.6851 0.6851
Loa Loa (eye worm) brahma associated protein 0.034 0.6851 1
Entamoeba histolytica hypothetical protein 0.0006 0.0036 0.5
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0121 0.2379 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0111 0.0111
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0071 0.0051
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.034 0.6851 1
Brugia malayi hypothetical protein 0.0006 0.0036 0.0052
Giardia lamblia Hypothetical protein 0.0006 0.0036 0.5
Giardia lamblia Hypothetical protein 0.0006 0.0036 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.0659 0.0659
Loa Loa (eye worm) hypothetical protein 0.0121 0.2379 0.3473
Brugia malayi RING zinc finger protein 0.0006 0.0036 0.0052
Loa Loa (eye worm) hypothetical protein 0.0121 0.2379 0.3473
Onchocerca volvulus Protein neuralized homolog 0.0006 0.0036 0.0052
Trypanosoma cruzi hypothetical protein, conserved 0.0121 0.2379 1
Onchocerca volvulus RING finger protein 141 homolog 0.0006 0.0036 0.0052
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Schistosoma mansoni rnf5 0.0006 0.0036 0.0036
Echinococcus multilocularis ring and YY1 binding protein 0.0121 0.2379 0.2379
Onchocerca volvulus 0.0006 0.0036 0.0052
Loa Loa (eye worm) hypothetical protein 0.0121 0.2379 0.3473
Schistosoma mansoni zinc finger protein 0.0121 0.2379 0.2379
Echinococcus multilocularis SWI:SNF matrix associated 0.034 0.6851 0.6851
Schistosoma mansoni hypothetical protein 0.0006 0.0036 0.0036
Giardia lamblia Kinase, NEK 0.0006 0.0036 0.5
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0121 0.2379 0.2379
Echinococcus multilocularis E3 ubiquitin protein ligase mib1 0.0006 0.0036 0.0036
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Brugia malayi MH2 domain containing protein 0.001 0.0111 0.0162
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0071 0.0051
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Schistosoma mansoni TRABID protein (C64 family) 0.0121 0.2379 0.2379
Giardia lamblia Hypothetical protein 0.0006 0.0036 0.5
Giardia lamblia Zinc finger domain 0.0006 0.0036 0.5
Brugia malayi MH1 domain containing protein 0.001 0.0111 0.0162
Echinococcus multilocularis SWI:SNF matrix associated 0.034 0.6851 0.6851
Schistosoma mansoni cpg binding protein 0.0037 0.0659 0.0659
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0111 0.0162
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0071 0.0051
Trichomonas vaginalis helicase, putative 0.0008 0.0071 0.0051
Echinococcus granulosus smad 0.001 0.0111 0.0111
Giardia lamblia Protein 21.1 0.0006 0.0036 0.5
Brugia malayi Smad1 0.001 0.0111 0.0162
Brugia malayi MH2 domain containing protein 0.001 0.0111 0.0162
Brugia malayi MH1 domain containing protein 0.0005 0.0021 0.0031
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0121 0.2379 0.3473
Echinococcus multilocularis E3 ubiquitin protein ligase MYLIP 0.0006 0.0036 0.0036
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0129 0.0129
Onchocerca volvulus 0.0006 0.0036 0.0052
Schistosoma mansoni fusion 0.0121 0.2379 0.2379
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.034 0.6851 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0086 0.0086

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 35.4813 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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