Detailed information for compound 1770376

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 423.324 | Formula: C18H19BrN2O3S
  • H donors: 0 H acceptors: 1 LogP: 4.79 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC/C=C/CO[C@]1(SC=C(n2c1noc2=O)C)c1ccc(cc1)Br
  • InChi: 1S/C18H19BrN2O3S/c1-3-4-5-6-11-23-18(14-7-9-15(19)10-8-14)16-20-24-17(22)21(16)13(2)12-25-18/h5-10,12H,3-4,11H2,1-2H3/b6-5+/t18-/m0/s1
  • InChiKey: LDBPDNDFCXVQGQ-QWNKOJSDSA-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 granulosus p2X purinoceptor 4 0.1387 0.2391 0.8305
Echinococcus granulosus serotonin transporter 0.016 0.0233 0.0809
Echinococcus granulosus BC026374 protein S09 family 0.0078 0.0089 0.0309
Echinococcus multilocularis alpha 1,6 mannosyl glycoprotein 0.1664 0.2879 1
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0033 0.001 0.0035
Brugia malayi Carboxylesterase family protein 0.0078 0.0089 0.0309
Echinococcus multilocularis flap endonuclease 1 0.0027 0.0001 0.0003
Loa Loa (eye worm) hypothetical protein 0.0083 0.0099 0.0343
Loa Loa (eye worm) dihydrofolate reductase 0.0046 0.0034 0.0117
Echinococcus multilocularis p2X purinoceptor 4 0.1387 0.2391 0.8305
Mycobacterium tuberculosis Probable reductase 0.0114 0.0153 0.0133
Brugia malayi Dihydrofolate reductase 0.0046 0.0034 0.0117
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0078 0.0089 0.0309
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0033 0.001 0.0243
Chlamydia trachomatis cysteine--tRNA ligase 0.0083 0.0099 0.2078
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0127 0.0175 0.0156
Brugia malayi Pre-SET motif family protein 0.022 0.0339 0.1176
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0114 0.0153 0.0133
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0078 0.0089 0.0309
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.004 0.1696
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine:LPS N-acetylglucosamine transferase 0.0181 0.027 0.191
Plasmodium vivax flap endonuclease 1, putative 0.0027 0.0001 0.0031
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0783 0.133 0.1321
Chlamydia trachomatis dihydrofolate reductase 0.0046 0.0034 0.0708
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0065 0.0055
Trichomonas vaginalis spcc417.12 protein, putative 0.0078 0.0089 0.2258
Plasmodium vivax thioredoxin reductase, putative 0.005 0.004 0.1722
Mycobacterium ulcerans carboxylesterase, LipT 0.0078 0.0089 0.0079
Echinococcus granulosus flap endonuclease 1 0.0027 0.0001 0.0003
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0078 0.0089 0.2258
Loa Loa (eye worm) hypothetical protein 0.0078 0.0089 0.0309
Brugia malayi Sodium:neurotransmitter symporter family protein 0.016 0.0233 0.0809
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0065 0.0226
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0008 0.0027
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0008 0.0027
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.004 0.002
Brugia malayi Carboxylesterase family protein 0.046 0.0762 0.2645
Onchocerca volvulus 0.0113 0.0152 0.3873
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0033 0.001 0.0967
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0033 0.001 0.0035
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0065 0.0055
Plasmodium falciparum thioredoxin reductase 0.005 0.004 0.1722
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0033 0.001 0.0408
Leishmania major dihydrofolate reductase-thymidylate synthase 0.016 0.0233 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0127 0.0175 0.0156
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0008 0.0027
Onchocerca volvulus 0.0032 0.0008 0.0199
Loa Loa (eye worm) hypothetical protein 0.0078 0.0089 0.0309
Loa Loa (eye worm) hypothetical protein 0.016 0.0233 0.0809
Brugia malayi Thioredoxin reductase 0.005 0.004 0.0139
Echinococcus multilocularis xaa pro aminopeptidase 0.0039 0.002 0.007
Onchocerca volvulus 0.025 0.0392 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0008 0.0027
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0783 0.133 0.1313
Echinococcus multilocularis neuroligin 0.0078 0.0089 0.0309
Mycobacterium leprae ProbableUPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0132 0.0185 0.0166
Loa Loa (eye worm) carboxylesterase 0.0078 0.0089 0.0309
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0054 0.0047 0.2002
Echinococcus multilocularis carboxylesterase 5A 0.046 0.0762 0.2645
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.016 0.0233 1
Leishmania major trypanothione reductase 0.005 0.004 0.1696
Trypanosoma cruzi aminopeptidase P1, putative 0.0039 0.002 0.0837
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0033 0.001 0.0438
Plasmodium vivax glutathione reductase, putative 0.005 0.004 0.1722
Echinococcus multilocularis p2X purinoceptor 4 0.1387 0.2391 0.8305
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0033 0.001 0.0408
Entamoeba histolytica hypothetical protein, conserved 0.0039 0.002 0.1981
Plasmodium vivax cysteine--tRNA ligase, putative 0.0083 0.0099 0.4241
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0113 0.0152 0.0132
Echinococcus multilocularis acetylcholinesterase 0.046 0.0762 0.2645
Echinococcus granulosus cysteinyl tRNA synthetase 0.0083 0.0099 0.0343
Plasmodium falciparum cysteine--tRNA ligase 0.0083 0.0099 0.4241
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0114 0.0153 0.0133
Schistosoma mansoni gliotactin 0.0078 0.0089 0.0309
Loa Loa (eye worm) carboxylesterase 0.046 0.0762 0.2645
Plasmodium falciparum cysteine--tRNA ligase 0.0083 0.0099 0.4241
Trichomonas vaginalis cysteinyl-tRNA synthetase, putative 0.0083 0.0099 0.2509
Loa Loa (eye worm) hypothetical protein 0.0078 0.0089 0.0309
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0783 0.133 1
Brugia malayi Carboxylesterase family protein 0.0078 0.0089 0.0309
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.016 0.0233 1
Treponema pallidum sodium- and chloride- dependent transporter 0.016 0.0233 0.4667
Echinococcus multilocularis para nitrobenzyl esterase 0.0078 0.0089 0.0309
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0078 0.0089 0.0309
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0033 0.001 0.0438
Echinococcus granulosus p2X purinoceptor 4 0.1387 0.2391 0.8305
Loa Loa (eye worm) hypothetical protein 0.046 0.0762 0.2645
Loa Loa (eye worm) norepinephrine transporter 0.016 0.0233 0.0809
Loa Loa (eye worm) hypothetical protein 0.0032 0.0008 0.0027
Plasmodium falciparum flap endonuclease 1 0.0027 0.0001 0.0031
Onchocerca volvulus 0.0033 0.001 0.0261
Chlamydia trachomatis UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase 0.0181 0.027 0.5679
Echinococcus multilocularis thymidylate synthase 0.0113 0.0152 0.0527
Loa Loa (eye worm) hypothetical protein 0.0078 0.0089 0.0309
Plasmodium vivax SET domain protein, putative 0.0032 0.0008 0.0334
Loa Loa (eye worm) hypothetical protein 0.0078 0.0089 0.0309
Entamoeba histolytica aminopeptidase, putative 0.0039 0.002 0.1981
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0078 0.0089 0.0309
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0083 0.0099 0.0089
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0039 0.002 0.0837
Loa Loa (eye worm) serotonin transporter b 0.016 0.0233 0.0809
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0033 0.001 0.0967
Brugia malayi Flap endonuclease-1 0.0027 0.0001 0.0003
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.016 0.0233 1
Echinococcus multilocularis dihydrofolate reductase 0.0046 0.0034 0.0117
Treponema pallidum cysteinyl-tRNA synthetase 0.0083 0.0099 0.1727
Loa Loa (eye worm) acetylcholinesterase 1 0.046 0.0762 0.2645
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0113 0.0152 0.0132
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0065 0.0045
Brugia malayi Carboxylesterase family protein 0.0078 0.0089 0.0309
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0046 0.0034 0.0014
Brugia malayi glutathione reductase 0.005 0.004 0.0139
Brugia malayi hypothetical protein 0.0078 0.0089 0.0309
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0033 0.001 0.0408
Mycobacterium ulcerans glycosyltransferase 0.0038 0.002 0.001
Onchocerca volvulus 0.0078 0.0089 0.2273
Giardia lamblia Cysteinyl-tRNA synthetase 0.0083 0.0099 1
Echinococcus multilocularis p2X purinoceptor 4 0.1387 0.2391 0.8305
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0083 0.0099 1
Loa Loa (eye worm) carboxylesterase 0.0078 0.0089 0.0309
Onchocerca volvulus 0.0078 0.0089 0.2273
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0078 0.0089 0.007
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0083 0.0099 0.0343
Schistosoma mansoni acetylcholinesterase 0.0078 0.0089 0.0309
Loa Loa (eye worm) hypothetical protein 0.1664 0.2879 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.004 0.0139
Loa Loa (eye worm) hypothetical protein 0.046 0.0762 0.2645
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0033 0.001 0.0035
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0078 0.0089 0.007
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0033 0.001 0.0035
Schistosoma mansoni P2X receptor subunit 0.1387 0.2391 0.8305
Echinococcus granulosus xaa pro aminopeptidase 0.0039 0.002 0.007
Echinococcus granulosus thymidylate synthase 0.0113 0.0152 0.0527
Onchocerca volvulus 0.016 0.0233 0.594
Echinococcus granulosus acetylcholinesterase 0.046 0.0762 0.2645
Echinococcus granulosus acetylcholinesterase 0.046 0.0762 0.2645
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.0001 0.0003
Brugia malayi hypothetical protein 0.0054 0.0047 0.0164
Loa Loa (eye worm) hypothetical protein 0.0033 0.001 0.0035
Plasmodium falciparum glutathione reductase 0.005 0.004 0.1722
Mycobacterium ulcerans thymidylate synthase 0.0113 0.0152 0.0142
Loa Loa (eye worm) glutathione reductase 0.005 0.004 0.0139
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.022 0.0339 0.1176
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0298 0.0476 1
Mycobacterium ulcerans undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0181 0.027 0.026
Wolbachia endosymbiont of Brugia malayi cysteinyl-tRNA synthetase 0.0083 0.0099 0.0601
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.0083 0.0099 0.4241
Trypanosoma brucei trypanothione reductase 0.005 0.004 0.1696
Brugia malayi Pre-SET motif family protein 0.0032 0.0008 0.0027
Mycobacterium tuberculosis Probable oxidoreductase 0.0127 0.0175 0.0156
Schistosoma mansoni neuroligin 3 (S09 family) 0.0078 0.0089 0.0309
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0083 0.0099 0.4223
Onchocerca volvulus 0.0078 0.0089 0.2273
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0039 0.002 0.0837
Schistosoma mansoni P2X receptor subunit 0.1387 0.2391 0.8305
Echinococcus multilocularis BC026374 protein (S09 family) 0.0078 0.0089 0.0309
Brugia malayi UDP-GlcNAc:a-6-D-mannoside b1,2-N-acetylglucosaminyltransferase II 0.1664 0.2879 1
Mycobacterium tuberculosis Hypothetical protein 0.0054 0.0047 0.0028
Schistosoma mansoni BC026374 protein (S09 family) 0.0078 0.0089 0.0309
Schistosoma mansoni sodium/chloride dependent transporter 0.016 0.0233 0.0809
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0008 0.0027
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.0083 0.0099 0.4223
Echinococcus granulosus p2X purinoceptor 4 0.1387 0.2391 0.8305
Mycobacterium tuberculosis Probable UPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0132 0.0185 0.0166
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 0.1664 0.2879 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0114 0.0153 0.0133
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0114 0.0153 0.0133
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0046 0.0034 0.0024
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0078 0.0089 0.0309
Trichomonas vaginalis set domain proteins, putative 0.025 0.0392 1
Treponema pallidum undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0181 0.027 0.5488
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.5713 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0127 0.0175 0.0156
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0008 0.0027
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0083 0.0099 0.0343
Onchocerca volvulus 0.0083 0.0099 0.2522
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0083 0.0099 0.4223
Echinococcus granulosus dihydrofolate reductase 0.0046 0.0034 0.0117
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.0083 0.0099 0.0343
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.004 0.0139
Echinococcus granulosus neuroligin 0.0078 0.0089 0.0309
Loa Loa (eye worm) thioredoxin reductase 0.005 0.004 0.0139
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0065 0.0226
Trypanosoma brucei Xaa-Pro aminopeptidase, putative 0.0039 0.002 0.0837
Leishmania major cysteinyl-tRNA synthetase, putative 0.0083 0.0099 0.4223
Echinococcus granulosus carboxylesterase 5A 0.046 0.0762 0.2645
Loa Loa (eye worm) hypothetical protein 0.016 0.0233 0.0809
Brugia malayi thymidylate synthase 0.0113 0.0152 0.0527
Toxoplasma gondii creatinase domain-containing protein 0.0039 0.002 0.0865
Echinococcus granulosus para nitrobenzyl esterase 0.0078 0.0089 0.0309
Echinococcus multilocularis acetylcholinesterase 0.046 0.0762 0.2645
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0298 0.0476 1
Loa Loa (eye worm) hypothetical protein 0.016 0.0233 0.0809
Brugia malayi dihydrofolate reductase family protein 0.0046 0.0034 0.0117
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0065 0.2792
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0033 0.001 0.0035
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.016 0.0233 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0089 0.0309
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.016 0.0233 1
Loa Loa (eye worm) thymidylate synthase 0.0113 0.0152 0.0527
Plasmodium vivax peptidase, putative 0.0039 0.002 0.0865
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.5713 1 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0114 0.0153 0.0133
Mycobacterium tuberculosis Probable dehydrogenase 0.0114 0.0153 0.0133
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0006 0.002
Brugia malayi metallopeptidase family M24 containing protein 0.0039 0.002 0.007
Brugia malayi Carboxylesterase family protein 0.0078 0.0089 0.0309
Echinococcus multilocularis cysteinyl tRNA synthetase 0.0083 0.0099 0.0343
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0065 0.0226
Plasmodium falciparum aminopeptidase P 0.0039 0.002 0.0865
Loa Loa (eye worm) solute carrier family 6 member 4 0.016 0.0233 0.0809
Echinococcus granulosus alpha 16 mannosyl glycoprotein 0.1664 0.2879 1
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0033 0.001 0.0438
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0047 0.1189
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0008 0.0334
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0027 0.0001 0.0031
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.046 0.0762 0.2645
Schistosoma mansoni P2X receptor subunit 0.1387 0.2391 0.8305
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0033 0.001 0.0408
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0083 0.0099 0.0343
Toxoplasma gondii thioredoxin reductase 0.005 0.004 0.1722
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0783 0.133 0.1313
Schistosoma mansoni P2X receptor subunit 0.1387 0.2391 0.8305
Onchocerca volvulus 0.0078 0.0089 0.2273
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.016 0.0233 0.0809
Echinococcus multilocularis serotonin transporter 0.016 0.0233 0.0809
Schistosoma mansoni dihydrofolate reductase 0.0046 0.0034 0.0117
Echinococcus granulosus leucyl tRNA synthetase 0.0083 0.0099 0.0343
Brugia malayi Carboxylesterase family protein 0.046 0.0762 0.2645
Onchocerca volvulus 0.0078 0.0089 0.2273
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0065 0.2769
Mycobacterium tuberculosis Carboxylesterase LipT 0.0078 0.0089 0.007
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0065 0.0055
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0046 0.0034 0.0014
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0065 0.0226
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0008 0.0027
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0113 0.0152 0.0527
Loa Loa (eye worm) hypothetical protein 0.0078 0.0089 0.0309

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 27 % Inhibition of MDR1 in multidrug resistant human A2780/DX3 cells assessed as reduction in doxorubicin IC50 for antiproliferative activity by MTT assay ChEMBL. 24900735

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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