Detailed information for compound 1726546

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 407.826 | Formula: C21H10ClNO4S
  • H donors: 1 H acceptors: 3 LogP: 5.36 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1OC(=O)c2c3c1cc(cc3ccc2)NC(=O)c1sc2c(c1Cl)cccc2
  • InChi: 1S/C21H10ClNO4S/c22-17-12-5-1-2-7-15(12)28-18(17)19(24)23-11-8-10-4-3-6-13-16(10)14(9-11)21(26)27-20(13)25/h1-9H,(H,23,24)
  • InChiKey: DEHAPWWKWFCWSE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli thymidylate synthetase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus granulosus thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum ko:K00560 thymidylate synthase [EC2.1.1.45], putative Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania major dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Loa Loa (eye worm) thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Theileria parva dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus multilocularis thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma brucei gambiense dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium berghei bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127385 All targets in OG5_127385
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania mexicana dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania infantum dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium yoelii thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Cryptosporidium hominis chain A, crystal structure of Dhfr Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania braziliensis dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Brugia malayi thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium knowlesi bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Neospora caninum Bifunctional dihydrofolate reductase-thymidylate synthase, related Get druggable targets OG5_127385 All targets in OG5_127385
Cryptosporidium parvum dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium ulcerans thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Babesia bovis dihydrofolate reductase/thymidilate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Onchocerca volvulus Get druggable targets OG5_127385 All targets in OG5_127385
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 granulosus multidrug resistance protein 1 0.0101 0.0849 0.47
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0101 0.0849 1
Trichomonas vaginalis abcb9, putative 0.0101 0.0849 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0101 0.0849 1
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0032 0.014 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0138 0.1225 0.6783
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0101 0.0849 0.4254
Loa Loa (eye worm) hypothetical protein 0.003 0.0129 0.0715
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0101 0.0849 1
Brugia malayi thymidylate synthase 0.0195 0.1806 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0101 0.0849 1
Echinococcus multilocularis sphingomyelin synthase protein 1 0.0054 0.0369 0.2045
Loa Loa (eye worm) hypothetical protein 0.0032 0.014 0.0777
Echinococcus multilocularis 0.0032 0.014 0.0777
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0054 0.0369 0.1374
Brugia malayi multidrug resistance related protein 1 0.0032 0.014 0.0777
Trichomonas vaginalis taga, putative 0.0101 0.0849 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0394 0.218
Plasmodium vivax sphingomyelin synthase 1, putative 0.0054 0.0369 0.1374
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0101 0.0849 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0101 0.0849 0.47
Loa Loa (eye worm) ABC transporter 0.0032 0.014 0.0777
Brugia malayi ABC transporter transmembrane region family protein 0.003 0.0129 0.0715
Loa Loa (eye worm) hypothetical protein 0.0054 0.0369 0.2045
Entamoeba histolytica hypothetical protein 0.0054 0.0369 0.0243
Trypanosoma brucei inositol phosphorylceramide synthase 0.0054 0.0369 0.0467
Entamoeba histolytica hypothetical protein 0.0054 0.0369 0.0243
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0195 0.1806 0.3396
Leishmania major phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0512 0.5043 1
Schistosoma mansoni hypothetical protein 0.0039 0.0211 0.1171
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0054 0.0369 0.2045
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0054 0.0369 0.3336
Entamoeba histolytica ABC transporter, putative 0.0032 0.014 0.0011
Brugia malayi multidrug resistance protein 3 0.0101 0.0849 0.47
Echinococcus granulosus multidrug resistance protein 1 0.007 0.0537 0.2976
Brugia malayi ABC transporter family protein 0.0101 0.0849 0.47
Schistosoma mansoni multidrug resistance protein 0.0101 0.0849 0.47
Brugia malayi ABC transporter 0.0032 0.014 0.0777
Brugia malayi hypothetical protein 0.0032 0.014 0.0777
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0101 0.0849 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0101 0.0849 1
Schistosoma mansoni multidrug resistance protein 0.0032 0.014 0.0777
Toxoplasma gondii hypothetical protein 0.0054 0.0369 0.1374
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0054 0.0369 0.2045
Schistosoma mansoni multidrug resistance protein 0.0032 0.014 0.0777
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0512 0.5043 1
Echinococcus granulosus multidrug resistance associated protein 7 0.0032 0.014 0.0777
Entamoeba histolytica P-glycoprotein-5 0.0101 0.0849 0.0729
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.01 0.0837 0.4638
Brugia malayi ABC transporter transmembrane region family protein 0.0032 0.014 0.0777
Trichomonas vaginalis conserved hypothetical protein 0.0093 0.0763 0.8815
Brugia malayi ABC transporter 0.003 0.0129 0.0715
Schistosoma mansoni multidrug resistance protein 0.0101 0.0849 0.47
Entamoeba histolytica ATP-binding cassette protein, putative 0.0032 0.014 0.0011
Loa Loa (eye worm) hypothetical protein 0.0054 0.0369 0.2045
Echinococcus multilocularis thymidylate synthase 0.0195 0.1806 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0101 0.0849 0.47
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0093 0.0763 0.1271
Entamoeba histolytica hypothetical protein 0.0054 0.0369 0.0243
Entamoeba histolytica ATP-binding cassette protein, putative 0.0032 0.014 0.0011
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0101 0.0849 1
Trichomonas vaginalis ABC transporter, putative 0.0101 0.0849 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0101 0.0849 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0101 0.0849 0.47
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0512 0.5043 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0195 0.1806 1
Echinococcus granulosus multidrug resistance protein 1 0.007 0.0537 0.2976
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0101 0.0849 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.014 0.0777
Echinococcus multilocularis multidrug resistance protein 1 0.0101 0.0849 0.47
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 3 0.0054 0.0369 0.2045
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0032 0.014 0.0156
Schistosoma mansoni hypothetical protein 0.0138 0.1225 0.6783
Entamoeba histolytica P-glycoprotein-2 0.0101 0.0849 0.0729
Plasmodium falciparum sphingomyelin synthase 2, putative 0.0054 0.0369 0.1374
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0195 0.1806 0.3396
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0195 0.1806 0.3396
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0101 0.0849 0.47
Echinococcus granulosus sphingomyelin synthase protein 1 0.0054 0.0369 0.2045
Brugia malayi Sphingomyelin synthase-related 1 0.0054 0.0369 0.2045
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0101 0.0849 0.47
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0195 0.1806 1
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0512 0.5043 1
Giardia lamblia ABC transporter, putative 0.0032 0.014 1
Entamoeba histolytica P-glycoprotein-1 0.0101 0.0849 0.0729
Giardia lamblia MRP-like ABC transporter 0.0032 0.014 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0195 0.1806 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.0849 0.47
Echinococcus multilocularis multidrug resistance associated protein 1 0.0032 0.014 0.0777
Loa Loa (eye worm) hypothetical protein 0.003 0.0129 0.0715
Plasmodium falciparum multidrug resistance protein 1 0.0101 0.0849 0.4254
Loa Loa (eye worm) hypothetical protein 0.0101 0.0849 0.47
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0101 0.0849 1
Echinococcus granulosus multidrug resistance protein 1 0.0101 0.0849 0.47
Entamoeba histolytica ATP-binding cassette protein, putative 0.0032 0.014 0.0011
Trichomonas vaginalis abcb9, putative 0.0101 0.0849 1
Schistosoma mansoni smdr2 0.0101 0.0849 0.47
Brugia malayi MH2 domain containing protein 0.0139 0.1239 0.6862
Echinococcus multilocularis ATP binding cassette sub family B 0.0032 0.014 0.0777
Echinococcus multilocularis ATP binding cassette sub family B 0.0032 0.014 0.0777
Entamoeba histolytica multidrug resistance protein, putative 0.0032 0.014 0.0011
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0101 0.0849 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0369 0.2045
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0101 0.0849 1
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0101 0.0849 0.4254
Entamoeba histolytica P-glycoprotein 6, putative 0.0032 0.014 0.0011
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0101 0.0849 1
Trichomonas vaginalis ABC transporter, putative 0.0101 0.0849 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0837 0.4638
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.003 0.0129 0.0715
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0369 0.3336
Brugia malayi hypothetical protein 0.0093 0.0763 0.4228
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.007 0.0537 0.5674
Schistosoma mansoni smdr1 0.0032 0.014 0.0777
Brugia malayi ABC transporter family protein 0.0032 0.014 0.0777
Echinococcus multilocularis multidrug resistance protein 1 0.0101 0.0849 0.47
Leishmania major p-glycoprotein 0.0101 0.0849 0.1445
Entamoeba histolytica P-glyco protein 6, putative 0.0101 0.0849 0.0729
Loa Loa (eye worm) hypothetical protein 0.0054 0.0369 0.2045
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0101 0.0849 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0101 0.0849 1
Brugia malayi ABC transporter family protein 0.0032 0.014 0.0777
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0054 0.0369 0.1374
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0101 0.0849 1
Entamoeba histolytica hypothetical protein 0.0054 0.0369 0.0243
Entamoeba histolytica P-glycoprotein-2 0.0101 0.0849 0.0729
Entamoeba histolytica hypothetical protein 0.0054 0.0369 0.0243
Trichomonas vaginalis hypothetical protein 0.0054 0.0369 0.3336
Echinococcus granulosus multidrug resistance protein 1 0.0101 0.0849 0.47
Plasmodium vivax multidrug resistance protein 1, putative 0.0101 0.0849 0.4254
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0394 0.218
Loa Loa (eye worm) hypothetical protein 0.0054 0.0369 0.2045
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0101 0.0849 0.47
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0101 0.0849 0.47
Echinococcus multilocularis thyroid hormone receptor alpha 0.0149 0.1338 0.7409
Mycobacterium ulcerans thymidylate synthase 0.0195 0.1806 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0032 0.014 0.0777
Echinococcus multilocularis ATP binding cassette sub family B 0.01 0.0837 0.4638
Loa Loa (eye worm) transcription factor SMAD2 0.0139 0.1239 0.6862
Echinococcus granulosus ATP binding cassette sub family B 0.0032 0.014 0.0777
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.0054 0.0369 0.2045
Trichomonas vaginalis ABC transporter, putative 0.0101 0.0849 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0101 0.0849 0.5
Echinococcus multilocularis ATP binding cassette sub family B 0.0032 0.014 0.0777
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0032 0.014 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0101 0.0849 0.47
Schistosoma mansoni thyroid hormone receptor 0.0149 0.1338 0.7409
Echinococcus granulosus ATP binding cassette sub family B 0.0032 0.014 0.0777
Trypanosoma brucei ceramide phosphorylethanolamine synthase 0.0054 0.0369 0.0467
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0054 0.0369 0.3336
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0101 0.0849 1
Brugia malayi ABC transporter transmembrane region family protein 0.0032 0.014 0.0777
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0211 0.1171
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0032 0.014 0.0777
Onchocerca volvulus 0.0195 0.1806 1
Schistosoma mansoni multidrug resistance protein 0.003 0.0129 0.0715
Schistosoma mansoni multidrug resistance protein 0.0032 0.014 0.0777
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0032 0.014 0.0777
Schistosoma mansoni multidrug resistance protein 0.0032 0.014 0.0777
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0101 0.0849 1
Trichomonas vaginalis ABC transporter, putative 0.0101 0.0849 1
Plasmodium vivax sphingomyelin synthase 2, putative 0.0054 0.0369 0.1374
Loa Loa (eye worm) MH2 domain-containing protein 0.0139 0.1239 0.6862
Loa Loa (eye worm) thymidylate synthase 0.0195 0.1806 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0211 0.1171
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.0054 0.0369 0.2045
Entamoeba histolytica ATP-binding cassette protein, putative 0.0032 0.014 0.0011
Entamoeba histolytica hypothetical membrane-spanning protein 0.0054 0.0369 0.0243
Brugia malayi P-glycoprotein-like protein 0.0032 0.014 0.0777
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0195 0.1806 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0369 0.2045
Loa Loa (eye worm) hypothetical protein 0.0032 0.014 0.0777
Entamoeba histolytica hypothetical protein 0.0032 0.014 0.0011
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0195 0.1806 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0101 0.0849 0.0729
Loa Loa (eye worm) multidrug resistance protein 3 0.0101 0.0849 0.47
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0394 0.218
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0101 0.0849 1
Echinococcus multilocularis multidrug resistance protein 1 0.007 0.0537 0.2976
Echinococcus multilocularis multidrug resistance associated protein 7 0.0032 0.014 0.0777
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0101 0.0849 0.47
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0195 0.1806 1
Schistosoma mansoni multidrug resistance protein 0.0101 0.0849 0.47
Schistosoma mansoni multidrug resistance protein 0.0032 0.014 0.0777
Schistosoma mansoni thyroid hormone receptor 0.0149 0.1338 0.7409
Giardia lamblia Multidrug resistance-associated protein 1 0.0032 0.014 1
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0512 0.5043 1
Loa Loa (eye worm) ABC transporter 0.0032 0.014 0.0777
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0101 0.0849 0.4254
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0054 0.0369 0.3336
Echinococcus multilocularis ATP binding cassette sub family B 0.0032 0.014 0.0777
Entamoeba histolytica P-glycoprotein-2, putative 0.0101 0.0849 0.0729
Trichomonas vaginalis abcb9, putative 0.0101 0.0849 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0394 0.218
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0101 0.0849 1
Echinococcus granulosus ATP binding cassette sub family B 0.003 0.0129 0.0715
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0101 0.0849 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0032 0.014 1
Loa Loa (eye worm) ABC transporter 0.0032 0.014 0.0777
Schistosoma mansoni spingomyelin synthetase-related 0.0054 0.0369 0.2045
Echinococcus granulosus thymidylate synthase 0.0195 0.1806 1
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0054 0.0369 0.3336
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0138 0.1225 0.6783
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0101 0.0849 0.1445
Mycobacterium tuberculosis Hypothetical protein 0.0093 0.0763 0.3742
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0101 0.0849 0.47
Entamoeba histolytica P-glycoprotein 6, putative 0.0032 0.014 0.0011
Brugia malayi ABC transporter family protein 0.0032 0.014 0.0777
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0032 0.014 0.0777

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Inhibition of human thymidylate synthase A at 80 uM ChEMBL. 23273520
Ki (binding) = 6.5 uM Inhibition of Escherichia coli thymidylate synthase A ChEMBL. 23273520
Ki (binding) > 55 uM Inhibition of human DHFR ChEMBL. 23273520
Ki (binding) > 411 uM Inhibition of human thymidylate synthase A ChEMBL. 23273520

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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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