Detailed information for compound 932452

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 191.314 | Formula: C7H13NOS2
  • H donors: 1 H acceptors: 1 LogP: 2.85 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C=NCCCC[S@@+](CC)[O-]
  • InChi: 1S/C7H13NOS2/c1-2-11(9)6-4-3-5-8-7-10/h2-6H2,1H3/t11-/m1/s1
  • InChiKey: RJAHCEDKAOGQHF-LLVKDONJSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Isocitrate dehydrogenase 0.002 0.002 0.0147
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0055 0.0127 0.0108
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0036 0.0068 0.0068
Brugia malayi MH2 domain containing protein 0.0074 0.0186 0.1399
Toxoplasma gondii phosphoglycerate mutase family protein 0.0055 0.0127 0.0715
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0055 0.0127 0.0127
Schistosoma mansoni hypothetical protein 0.0318 0.0944 0.0944
Echinococcus multilocularis phosphoglycerate mutase 0.0055 0.0127 0.0127
Mycobacterium ulcerans hypothetical protein 0.1912 0.5884 1
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.3185 0.983 0.983
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0055 0.0127 0.0108
Loa Loa (eye worm) hypothetical protein 0.1857 0.5715 0.5715
Brugia malayi jmjC domain containing protein 0.0036 0.0068 0.0512
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0055 0.0127 0.0108
Toxoplasma gondii LsmAD domain-containing protein 0.0031 0.0053 0.0223
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0086 0.0224 0.0224
Mycobacterium tuberculosis Glucosyl-3-phosphoglycerate phosphatase GpgP 0.0055 0.0127 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.324 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0111 0.0111
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0055 0.0127 0.0174
Mycobacterium leprae conserved hypothetical protein 0.0055 0.0127 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0012 0.0012
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.324 1 1
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM) 0.0055 0.0127 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0086 0.0224 0.1689
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0068 0.0068
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0055 0.0127 0.0127
Trypanosoma cruzi glycerolphosphate mutase, putative 0.0055 0.0127 0.0108
Echinococcus granulosus voltage gated potassium channel 0.0018 0.0012 0.0012
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0055 0.0127 0.0108
Loa Loa (eye worm) hypothetical protein 0.0055 0.0127 0.0127
Plasmodium vivax phosphoglucomutase-2, putative 0.0055 0.0127 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1382 0.4243 0.4232
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0111 0.0111
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0086 0.0224 0.0224
Onchocerca volvulus 0.324 1 1
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0055 0.0127 1
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0068 0.0068
Trypanosoma cruzi phosphoglycerate mutase, putative 0.0055 0.0127 0.0108
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0055 0.0127 0.0174
Schistosoma mansoni hypothetical protein 0.005 0.0111 0.0111
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0055 0.0127 0.0108
Trypanosoma cruzi glycerolphosphate mutase, putative 0.0055 0.0127 0.0108
Loa Loa (eye worm) hypothetical protein 0.0031 0.0053 0.0053
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.1382 0.4243 0.4232
Plasmodium vivax phosphoglycerate mutase, putative 0.0055 0.0127 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0022 0.0025 0.0025
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0127 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.002 0.002 0.002
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0022 0.0025 0.0025
Trypanosoma brucei PAB1-binding protein , putative 0.0031 0.0053 0.0034
Plasmodium falciparum ataxin-2 like protein, putative 0.0031 0.0053 0.3111
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0018 0.0012 0.0092
Schistosoma mansoni hypothetical protein 0.0055 0.0127 0.0127
Schistosoma mansoni voltage-gated potassium channel 0.0052 0.0119 0.0119
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.002 0.002 0.002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0086 0.0224 0.0224
Echinococcus granulosus neuropeptide s receptor 0.1173 0.3593 0.3593
Echinococcus granulosus microsomal glutathione S transferase 3 0.0506 0.1525 0.1525
Loa Loa (eye worm) hypothetical protein 0.0243 0.0712 0.0712
Mycobacterium tuberculosis PE-PGRS family protein PE_PGRS11 0.0055 0.0127 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0048 0.0107 0.0107
Trypanosoma cruzi PAB1-binding protein , putative 0.0031 0.0053 0.0034
Trypanosoma cruzi PAB1-binding protein , putative 0.0031 0.0053 0.0034
Leishmania major hypothetical protein, conserved 0.0055 0.0127 0.0108
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.3185 0.983 0.983
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0045 0.0098 0.7716
Trypanosoma cruzi phosphoglycerate mutase family member 5, putative 0.0055 0.0127 0.0108
Mycobacterium leprae conserved hypothetical protein 0.0055 0.0127 0.5
Schistosoma mansoni hypothetical protein 0.0055 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0107 0.0289 0.0289
Echinococcus granulosus phosphoglycerate mutase 0.0055 0.0127 0.0127
Brugia malayi phosphoglycerate mutase family protein 0.0055 0.0127 0.096
Echinococcus granulosus phosphoglycerate mutase 0.0055 0.0127 0.0127
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0499 0.1505 0.1505
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.1912 0.5884 1
Leishmania major hypothetical protein, conserved 0.0031 0.0053 0.0034
Schistosoma mansoni phosphoglycerate mutase 0.0055 0.0127 0.0127
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0048 0.0107 0.0107
Brugia malayi hypothetical protein 0.0022 0.0025 0.0189
Brugia malayi isocitrate dehydrogenase 0.002 0.002 0.0147
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.3185 0.983 0.983
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0068 0.0068
Mycobacterium tuberculosis Probable conserved lipoprotein LpqD 0.0055 0.0127 1
Brugia malayi phosphoglycerate mutase family protein 0.0055 0.0127 0.096
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0086 0.0224 0.0224
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0055 0.0127 0.0127
Giardia lamblia Hypothetical protein 0.1912 0.5884 0.5
Schistosoma mansoni hypothetical protein 0.005 0.0111 0.0111
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0055 0.0127 0.0108
Chlamydia trachomatis 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase 0.0055 0.0127 0.5
Leishmania major hypothetical protein, unknown function 0.0055 0.0127 0.0108
Leishmania major hypothetical protein, conserved 0.0055 0.0127 0.0108
Schistosoma mansoni hypothetical protein 0.0055 0.0127 0.0127
Brugia malayi UBASH3A protein homolog 0.0055 0.0127 0.096
Toxoplasma gondii phosphoglycerate mutase family protein 0.0055 0.0127 0.0715
Echinococcus granulosus phosphoglycerate mutase 0.0055 0.0127 0.0127
Brugia malayi Angiotensin-converting enzyme family protein 0.0441 0.1326 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0086 0.0224 0.0224
Schistosoma mansoni hypothetical protein 0.005 0.0111 0.0111
Trypanosoma brucei phosphoglycerate mutase protein, putative 0.0055 0.0127 0.0108
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0018 0.0012 0.0012
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0068 0.0068
Brugia malayi Latrophilin receptor protein 2 0.005 0.0111 0.0839
Treponema pallidum phosphoglyceromutase 0.0055 0.0127 0.5
Toxoplasma gondii MAPEG family protein 0.0506 0.1525 1
Mycobacterium leprae Possible phosphoglycerate mutase 0.0055 0.0127 0.5
Brugia malayi hypothetical protein 0.0031 0.0053 0.04
Leishmania major glycerolphosphate mutase, putative 0.0055 0.0127 0.0108
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0018 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.005 0.0111 0.0111
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.324 1 1
Echinococcus granulosus GPCR family 2 0.005 0.0111 0.0111
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.002 0.002 0.002
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE) 0.0055 0.0127 0.5
Loa Loa (eye worm) hypothetical protein 0.0157 0.0443 0.0443
Leishmania major fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein 0.0055 0.0127 0.0108
Loa Loa (eye worm) hypothetical protein 0.3185 0.983 0.983
Echinococcus multilocularis voltage gated potassium channel 0.0018 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0055 0.0127 0.0127
Onchocerca volvulus 0.0091 0.0241 0.0115
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0012
Leishmania major phosphoglycerate mutase family member 5, putative 0.0055 0.0127 0.0108
Trypanosoma cruzi phosphoglycerate mutase protein, putative 0.0055 0.0127 0.0108
Leishmania major hypothetical protein, conserved 0.0055 0.0127 0.0108
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0157 0.0443 0.334
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0055 0.0127 1
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0055 0.0127 0.0108
Echinococcus multilocularis isocitrate dehydrogenase 0.002 0.002 0.002
Schistosoma mansoni hypothetical protein 0.0022 0.0025 0.0025
Plasmodium falciparum ataxin-2 like protein, putative 0.0031 0.0053 0.3111
Echinococcus multilocularis phosphoglycerate mutase 0.0055 0.0127 0.0127
Toxoplasma gondii phosphoglycerate mutase 0.0055 0.0127 0.0715
Schistosoma mansoni hypothetical protein 0.0318 0.0944 0.0944
Leishmania major phosphoglycerate mutase, putative 0.0055 0.0127 0.0108
Brugia malayi Calcitonin receptor-like protein seb-1 0.0157 0.0443 0.334
Schistosoma mansoni hypothetical protein 0.005 0.0111 0.0111
Brugia malayi hypothetical protein 0.002 0.0019 0.0145
Mycobacterium tuberculosis Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0055 0.0127 1
Plasmodium vivax ataxin-2 like protein, putative 0.0031 0.0053 0.3111
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.324 1 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.002 0.002 0.002
Echinococcus multilocularis phosphoglycerate mutase 0.0055 0.0127 0.0127
Trypanosoma brucei Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative 0.0055 0.0127 0.0108
Brugia malayi hypothetical protein 0.0091 0.0241 0.1816
Echinococcus multilocularis phosphoglycerate mutase 0.0055 0.0127 0.0127
Trypanosoma cruzi phosphoglycerate mutase, putative 0.0055 0.0127 0.0108
Brugia malayi N-terminal motif family protein 0.0243 0.0712 0.5365
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.324 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0052 0.0119 0.0119
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0055 0.0127 0.0108
Echinococcus granulosus phosphoglycerate mutase 0.0055 0.0127 0.0127
Schistosoma mansoni transcription factor LCR-F1 0.0022 0.0025 0.0025
Echinococcus multilocularis neuropeptide s receptor 0.1173 0.3593 0.3593
Schistosoma mansoni microsomal glutathione s-transferase 0.0506 0.1525 0.1525
Loa Loa (eye worm) MH2 domain-containing protein 0.0074 0.0186 0.0186
Echinococcus multilocularis phosphoglycerate mutase 0.0055 0.0127 0.0127
Echinococcus granulosus neuropeptide receptor A26 0.1173 0.3593 0.3593
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0111 0.0839
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0086 0.0224 0.0224
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0055 0.0127 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0127 0.0127
Mycobacterium leprae probable isochorismate synthase EntC 0.0055 0.0127 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0111 0.0111
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.1912 0.5884 1
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0055 0.0127 1
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0441 0.1326 0.1326
Toxoplasma gondii phosphoglycerate mutase family protein 0.0055 0.0127 0.0715
Mycobacterium tuberculosis Conserved protein 0.0055 0.0127 1
Trypanosoma brucei phosphoglycerate mutase, putative 0.0055 0.0127 0.0108
Giardia lamblia Hypothetical protein 0.1912 0.5884 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0068 0.0068
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.002 0.002 0.002
Mycobacterium tuberculosis Possible hydrolase MutT1 0.0055 0.0127 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0086 0.0224 0.0224
Mycobacterium tuberculosis Conserved protein 0.0055 0.0127 1
Echinococcus granulosus geminin 0.0318 0.0944 0.0944
Schistosoma mansoni hypothetical protein 0.0055 0.0127 0.0127
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0036 0.0068 0.0068
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3185 0.983 0.983
Plasmodium falciparum phosphoglycerate mutase, putative 0.0055 0.0127 1
Mycobacterium leprae POSSIBLE HYDROLASE MUTT1 0.0055 0.0127 0.5
Trypanosoma brucei glycerolphosphate mutase, putative 0.0055 0.0127 0.0108
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0157 0.0443 0.0443
Brugia malayi jmjC domain containing protein 0.0036 0.0068 0.0512
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0055 0.0127 0.0108
Schistosoma mansoni hypothetical protein 0.0055 0.0127 0.0127
Schistosoma mansoni hypothetical protein 0.0107 0.0289 0.0289
Mycobacterium tuberculosis Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM) 0.0055 0.0127 1
Toxoplasma gondii phosphoglycerate mutase family protein 0.0055 0.0127 0.0715
Loa Loa (eye worm) hypothetical protein 0.0037 0.0073 0.0073
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0012 0.0012
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0045 0.0098 0.7716
Echinococcus multilocularis GPCR, family 2 0.005 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.324 1 1
Schistosoma mansoni phosphoglycerate mutase 0.0055 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0055 0.0127 0.0127
Mycobacterium leprae Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0055 0.0127 0.5
Schistosoma mansoni 6-phosphofructokinase 0.324 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1382 0.4243 0.4232
Trypanosoma cruzi phosphoglycerate mutase protein, putative 0.0055 0.0127 0.0108
Echinococcus granulosus phosphoglycerate mutase 0.0055 0.0127 0.0127
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0506 0.1525 0.1525
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0111 0.0111
Mycobacterium leprae conserved hypothetical protein 0.0055 0.0127 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0048 0.0107 0.0107
Echinococcus multilocularis geminin 0.0318 0.0944 0.0944
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.002 0.002 0.002
Toxoplasma gondii phosphoglycerate mutase PGMII 0.0055 0.0127 0.0715
Schistosoma mansoni jumonji domain containing protein 0.0036 0.0068 0.0068
Mycobacterium tuberculosis Conserved hypothetical protein 0.0055 0.0127 1
Leishmania major phosphoglycerate mutase protein, putative 0.0055 0.0127 0.0108
Loa Loa (eye worm) hypothetical protein 0.0091 0.0241 0.0241
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.2207 0.6798 0.6798
Trypanosoma cruzi phosphoglycerate mutase family member 5, putative 0.0055 0.0127 0.0108
Echinococcus multilocularis neuropeptide receptor A26 0.1173 0.3593 0.3593
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0055 0.0127 1
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0055 0.0127 0.0127
Schistosoma mansoni hypothetical protein 0.0055 0.0127 0.0127
Plasmodium falciparum phosphoglucomutase-2 0.0055 0.0127 1
Echinococcus multilocularis phosphoglycerate mutase 0.0055 0.0127 0.0127
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0055 0.0127 0.0108
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.002 0.002 0.002
Brugia malayi latrophilin 2 splice variant baaae 0.0107 0.0289 0.2182
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0243 0.0712 0.0592
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0055 0.0127 0.0108
Loa Loa (eye worm) phosphoglycerate mutase 0.0055 0.0127 0.0127
Loa Loa (eye worm) transcription factor SMAD2 0.0074 0.0186 0.0186
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0086 0.0224 0.0224
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0111 0.0111
Entamoeba histolytica phosphoglycerate mutase family protein. putative 0.0055 0.0127 0.0174
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1382 0.4243 0.4232
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0048 0.0107 0.0807
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0127 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Activation of NRF2 in human HaCaT cells expressing rat NQO1 assessed as induction of NQO1 expression at 50 nM to 5 uM incubated for 24 hrs by ARE-driven luciferase reporter gene assay ChEMBL. 25299679
IC50 (functional) = 19.78 uM Cytotoxicity against human A549 cells assessed as reduction in cell viability after 48 hrs by MTT assay ChEMBL. 25299679
IC50 (ADMET) = 40.79 uM Cytotoxicity against human MRC5 cells assessed as reduction in cell viability after 48 hrs by MTT assay ChEMBL. 25299679

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 25299679

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

1 literature reference was collected for this gene.

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