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

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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