Detailed information for compound 1452808

Basic information

Technical information
  • TDR Targets ID: 1452808
  • Name: 6,7-dichloro-3-(2-hydroxy-3-methylsulfanylpro pyl)-2H-phthalazine-1,4-dione
  • MW: 335.206 | Formula: C12H12Cl2N2O3S
  • H donors: 2 H acceptors: 3 LogP: 1.91 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSCC(Cn1[nH]c(=O)c2c(c1=O)cc(c(c2)Cl)Cl)O
  • InChi: 1S/C12H12Cl2N2O3S/c1-20-5-6(17)4-16-12(19)8-3-10(14)9(13)2-7(8)11(18)15-16/h2-3,6,17H,4-5H2,1H3,(H,15,18)
  • InChiKey: BVEYMVRXRNMYHP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6,7-dichloro-3-(2-hydroxy-3-methylsulfanyl-propyl)-2H-phthalazine-1,4-dione
  • 6,7-dichloro-3-[2-hydroxy-3-(methylthio)propyl]-2H-phthalazine-1,4-dione
  • 6,7-dichloro-3-[2-hydroxy-3-(methylthio)propyl]-2H-phthalazine-1,4-quinone
  • 6,7-dichloro-4-hydroxy-2-[2-hydroxy-3-(methylthio)propyl]-1,2-dihydrophthalazin-1-one
  • MLS000861938
  • SMR000460722

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.0083 0.1872
Treponema pallidum cyclic nucleotide binding protein 0.0017 0.004 0.5
Echinococcus granulosus smad 0.0026 0.0098 0.0141
Loa Loa (eye worm) hypothetical protein 0.0039 0.0194 0.0194
Onchocerca volvulus 0.0028 0.0115 0.0138
Loa Loa (eye worm) hypothetical protein 0.0039 0.0194 0.0194
Brugia malayi N-terminal motif family protein 0.0028 0.0115 0.0097
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0028 0.0115 0.5
Echinococcus granulosus ras GTP exchange factor 0.0028 0.0115 0.0183
Brugia malayi MH1 domain containing protein 0.0026 0.0098 0.008
Schistosoma mansoni smad1 5 8 and 0.0026 0.0098 0.0085
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0017 0.004 0.0909
Treponema pallidum catabolite gene activator 0.0017 0.004 0.5
Mycobacterium leprae Polyketide synthase Pks13 0.0037 0.0181 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0025 0.0094 0.4065
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.0017 0.004 0.0022
Treponema pallidum cyclic nucleotide binding protein 0.0017 0.004 0.5
Echinococcus granulosus muscleblind protein 0.018 0.1176 0.2767
Echinococcus multilocularis regulator of G protein signaling 7 0.0039 0.0194 0.0375
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0028 0.0115 0.5
Schistosoma mansoni dep domain containing protein 0.0039 0.0194 0.0227
Trichomonas vaginalis ras GTP exchange factor, putative 0.0028 0.0115 1
Schistosoma mansoni dishevelled 0.0039 0.0194 0.0227
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.0017 0.004 0.004
Brugia malayi RNA recognition motif domain containing protein 0.0607 0.4144 0.4133
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0458 0.3109 0.7478
Mycobacterium tuberculosis Probable conserved transmembrane transport protein 0.0017 0.004 0.0615
Trypanosoma cruzi hypothetical protein 0.0028 0.0115 0.2349
Entamoeba histolytica hypothetical protein 0.0028 0.0115 0.5
Trichomonas vaginalis ras GTP exchange factor, putative 0.0028 0.0115 1
Brugia malayi Latrophilin receptor protein 2 0.0458 0.3109 0.3097
Loa Loa (eye worm) fatty acid synthase 0.0025 0.0092 0.0092
Schistosoma mansoni hypothetical protein 0.0458 0.3109 0.4533
Echinococcus granulosus geminin 0.0205 0.1344 0.3178
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0027 0.0105 0.2527
Onchocerca volvulus Fatty acid synthase homolog 0.0045 0.0235 0.0357
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0048 0.0251 0.0233
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0024 0.0089 0.2052
Echinococcus multilocularis segment polarity protein dishevelled 0.0039 0.0194 0.0375
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0039 0.0194 0.0227
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0028 0.0115 1
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0017 0.004 0.5
Brugia malayi isocitrate dehydrogenase 0.0063 0.036 0.0343
Mycobacterium tuberculosis Conserved hypothetical protein 0.0017 0.004 0.0615
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0039 0.0194 0.0176
Toxoplasma gondii isocitrate dehydrogenase 0.0063 0.036 1
Schistosoma mansoni hypothetical protein 0.0205 0.1344 0.1927
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0028 0.0115 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0018 0.0045 0.0767
Schistosoma mansoni smad 0.0026 0.0098 0.0085
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0028 0.0115 0.0138
Mycobacterium ulcerans polyketide synthase Pks13 0.0037 0.0181 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.08 0.5492 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0017 0.004 0.004
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0028 0.0115 0.0111
Loa Loa (eye worm) hypothetical protein 0.0017 0.004 0.004
Echinococcus multilocularis son of sevenless 1 0.0028 0.0115 0.0183
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0028 0.0115 0.0183
Loa Loa (eye worm) hypothetical protein 0.0042 0.0213 0.0213
Mycobacterium tuberculosis Probable thioesterase TesA 0.0021 0.0065 0.1355
Echinococcus multilocularis geminin 0.0205 0.1344 0.3178
Schistosoma mansoni tar DNA-binding protein 0.0607 0.4144 0.6062
Schistosoma mansoni tar DNA-binding protein 0.0607 0.4144 0.6062
Giardia lamblia CAMP-dependent protein kinase regulatory chain 0.0017 0.004 0.5
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0021 0.0065 0.2064
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.0098 0.0141
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0028 0.0115 0.5
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0027 0.0105 0.481
Mycobacterium ulcerans hypothetical protein 0.0017 0.004 0.0328
Mycobacterium tuberculosis Probable glutamine-transport ATP-binding protein ABC transporter GlnQ 0.0017 0.004 0.0615
Loa Loa (eye worm) MH2 domain-containing protein 0.0375 0.2532 0.2532
Loa Loa (eye worm) AGC/PKG protein kinase 0.0017 0.004 0.004
Loa Loa (eye worm) TAR-binding protein 0.0607 0.4144 0.4144
Brugia malayi hypothetical protein 0.0039 0.0194 0.0176
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0063 0.036 0.078
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0028 0.0115 0.5
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0025 0.0094 0.2209
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0021 0.0063 0.1276
Trypanosoma cruzi hypothetical protein 0.0028 0.0115 0.2349
Loa Loa (eye worm) hypothetical protein 0.018 0.1176 0.1176
Mycobacterium leprae Probable polyketide synthase Pks1 0.0027 0.0105 0.481
Mycobacterium ulcerans thioesterase 0.0021 0.0065 0.2064
Echinococcus granulosus Protein son of sevenless 0.0028 0.0115 0.0183
Mycobacterium tuberculosis Probable transcriptional regulatory protein Cmr 0.0017 0.004 0.0615
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0458 0.3109 0.3097
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0063 0.036 1
Mycobacterium ulcerans hypothetical protein 0.0017 0.004 0.0328
Schistosoma mansoni hypothetical protein 0.099 0.6811 1
Brugia malayi Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog 0.0017 0.004 0.0022
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0016 0.0033 0.0711
Brugia malayi RasGEF domain containing protein 0.0028 0.0115 0.0097
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0458 0.3109 0.7478
Mycobacterium ulcerans regulatory protein 0.0017 0.004 0.0328
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0028 0.0115 0.0111
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0028 0.0115 0.2349
Brugia malayi Isocitrate dehydrogenase 0.0063 0.036 0.0343
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0027 0.0105 0.481
Schistosoma mansoni dishevelled 0.0039 0.0194 0.0227
Loa Loa (eye worm) hypothetical protein 0.099 0.6811 0.6811
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0063 0.036 1
Brugia malayi DIX domain containing protein 0.0039 0.0194 0.0176
Brugia malayi Calcitonin receptor-like protein seb-1 0.1448 1 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0098 0.0098
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0028 0.0115 0.0183
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0028 0.0115 0.5
Schistosoma mansoni tar DNA-binding protein 0.0607 0.4144 0.6062
Brugia malayi MH2 domain containing protein 0.0375 0.2532 0.2519
Onchocerca volvulus 0.0044 0.0224 0.0337
Schistosoma mansoni ras GTP exchange factor 0.0028 0.0115 0.0111
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0027 0.0105 0.2527
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0083 0.0065
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0017 0.004 0.0022
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0027 0.0105 0.481
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0017 0.004 0.0615
Onchocerca volvulus 0.0023 0.0083 0.0079
Echinococcus granulosus regulator of G protein signaling 7 0.0039 0.0194 0.0375
Loa Loa (eye worm) hypothetical protein 0.0458 0.3109 0.3109
Loa Loa (eye worm) DIX domain-containing protein 0.0039 0.0194 0.0194
Mycobacterium ulcerans polyketide synthase 0.0025 0.0094 0.4065
Schistosoma mansoni z-protein (S1r protein) 0.0039 0.0194 0.0227
Loa Loa (eye worm) hypothetical protein 0.0014 0.0018 0.0018
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0028 0.0115 0.5
Brugia malayi hypothetical protein 0.0039 0.0194 0.0176
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0028 0.0115 0.5
Echinococcus granulosus tar DNA binding protein 0.0607 0.4144 1
Loa Loa (eye worm) hypothetical protein 0.1448 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0458 0.3109 0.7478
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0094 0.4065
Loa Loa (eye worm) RasGEF domain-containing protein 0.0028 0.0115 0.0115
Brugia malayi Cyclic-nucleotide gated cation channel 0.0017 0.004 0.0022
Treponema pallidum catabolite gene activator (Crp) 0.0017 0.004 0.5
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0025 0.0094 0.0076
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0017 0.004 0.0909
Mycobacterium tuberculosis Conserved protein 0.0017 0.004 0.0615
Echinococcus granulosus regulator of G protein signaling 7 0.0039 0.0194 0.0375
Schistosoma mansoni hypothetical protein 0.0458 0.3109 0.4533
Loa Loa (eye worm) hypothetical protein 0.08 0.5492 0.5492
Loa Loa (eye worm) latrophilin receptor protein 2 0.0458 0.3109 0.3109
Echinococcus granulosus segment polarity protein dishevelled 0.0039 0.0194 0.0375
Loa Loa (eye worm) hypothetical protein 0.0017 0.004 0.004
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0098 0.0098
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0094 0.4065
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0017 0.004 0.004
Mycobacterium leprae Conserved hypothetical protein 0.0017 0.004 0.0328
Echinococcus multilocularis Smad4 0.0026 0.0098 0.0141
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0017 0.004 0.0909
Mycobacterium ulcerans transmembrane transport protein 0.0017 0.004 0.0328
Toxoplasma gondii type I fatty acid synthase, putative 0.0027 0.0105 0.2761
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0028 0.0115 0.5
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0028 0.0115 0.0183
Mycobacterium tuberculosis Conserved hypothetical protein 0.0017 0.004 0.0615
Schistosoma mansoni hypothetical protein 0.0458 0.3109 0.4533
Brugia malayi N-terminal motif family protein 0.0028 0.0115 0.0097
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0028 0.0115 0.0111
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0028 0.0115 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1448 1 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0039 0.0194 0.0375
Loa Loa (eye worm) transcription factor SMAD2 0.0375 0.2532 0.2532
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0017 0.004 0.004
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.0098 0.0141
Loa Loa (eye worm) hypothetical protein 0.0014 0.0018 0.0018
Echinococcus multilocularis ras GTP exchange factor 0.0028 0.0115 0.0183
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.002 0.006 0.172
Brugia malayi RNA binding protein 0.0607 0.4144 0.4133
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0094 0.4065
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0063 0.036 1
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0039 0.0194 0.0282
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0028 0.0115 0.0183
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0028 0.0115 0.5
Echinococcus multilocularis segment polarity protein dishevelled 0.0039 0.0194 0.0375
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0039 0.0194 0.0375
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.002 0.006 0.172
Echinococcus granulosus Pleckstrin G protein interacting region 0.0039 0.0194 0.0375
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0063 0.036 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0039 0.0194 0.0194
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0024 0.0089 0.2052
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0063 0.036 1
Echinococcus multilocularis GPCR, family 2 0.0458 0.3109 0.7478
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0028 0.0115 0.5
Schistosoma mansoni tar DNA-binding protein 0.0607 0.4144 0.6062
Loa Loa (eye worm) hypothetical protein 0.0028 0.0115 0.0115
Toxoplasma gondii hypothetical protein 0.0039 0.0194 0.5279
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0017 0.004 0.0022
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0094 0.4065
Mycobacterium ulcerans hypothetical protein 0.0017 0.004 0.0328
Brugia malayi MH2 domain containing protein 0.0026 0.0098 0.008
Echinococcus multilocularis muscleblind protein 1 0.018 0.1176 0.2767
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0028 0.0115 0.0111
Mycobacterium ulcerans thioesterase TesA 0.0021 0.0065 0.2064
Brugia malayi cAMP-dependent protein kinase regulatory chain, putative 0.0017 0.004 0.0022
Mycobacterium ulcerans polyketide synthase 0.0027 0.0105 0.481
Brugia malayi RasGEF domain containing protein 0.0028 0.0115 0.0097
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0063 0.036 0.078
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0025 0.0094 0.2209
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.0083 0.0083
Brugia malayi regulator of G-protein signaling egl-10 0.0039 0.0194 0.0176
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0063 0.036 0.078
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0063 0.036 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.004 0.004
Loa Loa (eye worm) nuclear factor I 0.0014 0.0018 0.0018
Loa Loa (eye worm) Smad1 0.0026 0.0098 0.0098
Echinococcus granulosus Smad4 0.0026 0.0098 0.0141
Brugia malayi MH2 domain containing protein 0.0026 0.0098 0.008
Brugia malayi MH1 domain containing protein 0.0026 0.0098 0.008
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0027 0.0106 0.0097
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0063 0.036 0.078
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0037 0.0181 0.474
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0037 0.0181 0.474
Mycobacterium ulcerans hypothetical protein 0.0017 0.004 0.0328
Onchocerca volvulus 0.0039 0.0194 0.0282
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0458 0.3109 0.7478
Echinococcus multilocularis smad 0.0026 0.0098 0.0141
Echinococcus granulosus GPCR family 2 0.0458 0.3109 0.7478
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0063 0.036 0.078
Brugia malayi latrophilin 2 splice variant baaae 0.099 0.6811 0.6805
Loa Loa (eye worm) hypothetical protein 0.018 0.1176 0.1176
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.0098 0.0085
Schistosoma mansoni smad1 5 8 and 0.0026 0.0098 0.0085
Schistosoma mansoni regulator of G protein signaling 0.0039 0.0194 0.0227
Echinococcus granulosus son of sevenless 1 0.0028 0.0115 0.0183
Toxoplasma gondii isocitrate dehydrogenase 0.0063 0.036 1
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0017 0.004 0.0909
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0039 0.0194 0.0176
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0063 0.036 1
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0017 0.004 0.0909
Mycobacterium ulcerans transcriptional regulatory protein 0.0017 0.004 0.0328
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.0098 0.0141
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.002 0.006 0.172
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0028 0.0115 1
Brugia malayi Smad1 0.0026 0.0098 0.008
Loa Loa (eye worm) RNA binding protein 0.0607 0.4144 0.4144
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0025 0.0094 0.4065
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0094 0.2209
Toxoplasma gondii cAMP-dependent protein kinase regulatory subunit 0.0017 0.004 0.0909
Brugia malayi Egg laying defective protein 4 0.0017 0.004 0.0022
Schistosoma mansoni smad1 5 8 and 0.0026 0.0098 0.0085
Echinococcus multilocularis isocitrate dehydrogenase 0.0063 0.036 0.078
Schistosoma mansoni Smad4 0.0026 0.0098 0.0085
Toxoplasma gondii type I fatty acid synthase, putative 0.0018 0.0044 0.1024
Loa Loa (eye worm) RasGEF domain-containing protein 0.0028 0.0115 0.0115
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0027 0.0105 0.2527
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0063 0.036 1
Brugia malayi N-terminal motif family protein 0.08 0.5492 0.5484
Brugia malayi TAR-binding protein 0.0607 0.4144 0.4133
Schistosoma mansoni tar DNA-binding protein 0.0607 0.4144 0.6062
Loa Loa (eye worm) hypothetical protein 0.0028 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0039 0.0194 0.0194
Loa Loa (eye worm) RasGEF domain-containing protein 0.0028 0.0115 0.0115
Brugia malayi RasGEF domain containing protein 0.0028 0.0115 0.0097
Echinococcus granulosus segment polarity protein dishevelled 0.0039 0.0194 0.0375
Schistosoma mansoni hypothetical protein 0.0205 0.1344 0.1927
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0063 0.036 0.0473
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0607 0.4144 0.4144
Brugia malayi Muscleblind-like protein 0.018 0.1176 0.116
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.0098 0.0141
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0028 0.0115 0.5
Echinococcus multilocularis tar DNA binding protein 0.0607 0.4144 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0027 0.0105 0.481
Schistosoma mansoni hypothetical protein 0.0458 0.3109 0.4533
Echinococcus multilocularis Protein son of sevenless 0.0028 0.0115 0.0183
Loa Loa (eye worm) isocitrate dehydrogenase 0.0063 0.036 0.036
Echinococcus multilocularis muscleblind protein 0.018 0.1176 0.2767

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.2944 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) 5.0119 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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