Detailed information for compound 1359870

Basic information

Technical information
  • TDR Targets ID: 1359870
  • Name: 5,6-dimethyl-2-[(4-nitrophenyl)sulfanylmethyl ]-3H-thieno[3,2-e]pyrimidin-4-one
  • MW: 347.412 | Formula: C15H13N3O3S2
  • H donors: 1 H acceptors: 5 LogP: 4.17 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1nc(CSc2ccc(cc2)[N+](=O)[O-])nc2c1c(C)c(s2)C
  • InChi: 1S/C15H13N3O3S2/c1-8-9(2)23-15-13(8)14(19)16-12(17-15)7-22-11-5-3-10(4-6-11)18(20)21/h3-6H,7H2,1-2H3,(H,16,17,19)
  • InChiKey: OVXZYPKWQQSMKD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5,6-dimethyl-2-[[(4-nitrophenyl)thio]methyl]-3H-thieno[3,2-e]pyrimidin-4-one
  • SMR000247392
  • ZINC03405629
  • MLS000393142

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0027 0.0144 0.2501
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0023 0.0116 0.0309
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0037 0.022 1
Leishmania major hypothetical protein, conserved 0.0037 0.022 0.0245
Mycobacterium tuberculosis Possible haloalkane dehalogenase DhaA (1-chlorohexane halidohydrolase) 0.0037 0.022 0.0016
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0037 0.022 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0037 0.022 1
Mycobacterium tuberculosis Probable homoserine O-acetyltransferase MetA (homoserine O-trans-acetylase) (homoserine transacetylase) (HTA) 0.0037 0.022 0.0016
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0027 0.0144 0.0384
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0204 0.862
Brugia malayi Alpha/beta hydrolase 0.0037 0.022 0.3813
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Mycobacterium tuberculosis Possible epoxide hydrolase EphE (epoxide hydratase) (arene-oxide hydratase) 0.0037 0.022 0.0016
Schistosoma mansoni hypothetical protein 0.0027 0.0144 0.0384
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0122 0.0844 0.2243
Echinococcus multilocularis lysosomal acid lipase:cholesteryl ester 0.0037 0.022 0.0306
Mycobacterium ulcerans oxidoreductase 0.0037 0.022 0.0016
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0037 0.022 1
Trypanosoma cruzi hydrolase, alpha/beta fold family, putative 0.0037 0.022 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0377 0.2839
Trypanosoma cruzi hydrolase-like protein, putative 0.0037 0.022 1
Echinococcus granulosus intestinal type alkaline phosphatase 0.0122 0.0844 0.2243
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0086 0.0577 0.4347
Entamoeba histolytica alpha/beta hydrolase domain protein, putative 0.0037 0.022 1
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Mycobacterium ulcerans epoxide hydrolase EphF 0.0037 0.022 0.0016
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0027 0.0144 0.0384
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0487 0.0288
Loa Loa (eye worm) ab-hydrolase associated lipase region family protein 0.0037 0.022 0.1658
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0122 0.0844 0.1174
Mycobacterium ulcerans hydrolase 0.0037 0.022 0.0016
Schistosoma mansoni microtubule-associated protein tau 0.0516 0.3765 1
Brugia malayi latrophilin 2 splice variant baaae 0.0058 0.0377 0.6529
Entamoeba histolytica alpha/beta hydrolase fold protein, putative 0.0037 0.022 1
Mycobacterium leprae POSSIBLE SECRETED PROTEASE 0.0037 0.022 1
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.0512 0.3734 1
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0204 0.862
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.022 1
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Mycobacterium ulcerans haloalkane dehalogenase 0.0037 0.022 0.0016
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0122 0.0844 0.1174
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Onchocerca volvulus 0.0036 0.0213 0.9696
Mycobacterium ulcerans epoxide hydrolase EphB 0.0037 0.022 0.0016
Plasmodium falciparum epoxide hydrolase 1 0.0037 0.022 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0037 0.022 1
Mycobacterium ulcerans epoxide hydrolase EphA 0.1359 1 1
Schistosoma mansoni hypothetical protein 0.0027 0.0144 0.0384
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.0035 0.0204 0.3538
Brugia malayi hydrolase, alpha/beta fold family protein 0.0037 0.022 0.3813
Mycobacterium ulcerans non-heme haloperoxidase Hpx 0.0037 0.022 0.0016
Brugia malayi Hypothetical 54.7 kDa protein F37A4.1 in chromosome III 0.0037 0.022 0.3813
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.0037 0.022 0.0016
Plasmodium vivax hypothetical protein, conserved 0.0037 0.022 1
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0036 0.0213 0.5778
Loa Loa (eye worm) latrophilin receptor protein 2 0.0027 0.0144 0.1087
Leishmania major hypothetical protein, conserved 0.0037 0.022 0.0245
Plasmodium falciparum acid cluster protein 33 homologue, putative 0.0037 0.022 1
Entamoeba histolytica hypothetical protein 0.0037 0.022 1
Echinococcus granulosus prolyl 4 hydroxylase subunit alpha 1 0.0036 0.0213 0.0567
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0132 0.0351
Brugia malayi hydrolase, alpha/beta fold family protein 0.0037 0.022 0.3813
Brugia malayi Latrophilin receptor protein 2 0.0027 0.0144 0.2501
Leishmania major serine peptidase, putative,serine peptidase, Clan SC, Family S9D 0.0037 0.022 0.0245
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0037 0.022 1
Mycobacterium ulcerans short chain dehydrogenase 0.0037 0.022 0.0016
Schistosoma mansoni prolyl 4-hydroxylase alpha subunit 1 0.0036 0.0213 0.0567
Toxoplasma gondii homoserine O-acetyltransferase, putative 0.0037 0.022 0.0019
Echinococcus multilocularis haloacid dehalogenase hydrolase 0.0035 0.0204 0.0284
Schistosoma mansoni alkaline phosphatase 0.0122 0.0844 0.2243
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0122 0.0844 0.1174
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Echinococcus granulosus GPCR family 2 0.0027 0.0144 0.0384
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0132 0.0351
Plasmodium vivax hypothetical protein, conserved 0.0037 0.022 1
Schistosoma mansoni family S33 non-peptidase homologue (S33 family) 0.0037 0.022 0.0585
Echinococcus granulosus haloacid dehalogenase hydrolase 0.0035 0.0204 0.0542
Plasmodium vivax alpha/beta hydrolase, putative 0.0037 0.022 1
Echinococcus multilocularis neuropeptide s receptor 0.045 0.3273 0.455
Schistosoma mansoni 2-deoxyglucose-6-phosphate phosphatase 0.0035 0.0204 0.0542
Toxoplasma gondii alpha/beta hydrolase, putative 0.0037 0.022 0.0019
Mycobacterium ulcerans homoserine O-acetyltransferase 0.0037 0.022 0.0016
Onchocerca volvulus 0.0035 0.0204 0.9279
Brugia malayi prolyl 4-hydroxylase 0.0036 0.0213 0.3697
Echinococcus multilocularis abhydrolase domain containing 3 0.0037 0.022 0.0306
Trypanosoma cruzi hydrolase-like protein 0.0037 0.022 1
Mycobacterium ulcerans lipase/esterase 0.0037 0.022 0.0016
Leishmania major hydrolase-like protein 0.0037 0.022 0.0245
Leishmania major hydrolase-like protein,esterase-like protein 0.0037 0.022 0.0245
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0204 0.862
Loa Loa (eye worm) hypothetical protein 0.0187 0.1328 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0204 0.1538
Mycobacterium ulcerans proline iminopeptidase PIP 0.0037 0.022 0.0016
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0037 0.022 1
Trypanosoma brucei 2OG-Fe(II) oxygenase superfamily, putative 0.0036 0.0213 0.5778
Echinococcus granulosus abhydrolase domain containing protein 3 0.0037 0.022 0.0585
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0487 0.1293
Loa Loa (eye worm) HAD-superfamily hydrolase 0.0035 0.0204 0.1538
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0204 0.862
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.022 1
Schistosoma mansoni hypothetical protein 0.0127 0.0882 0.2343
Mycobacterium leprae Probable homoserine o-acetyltransferase MetA 0.0037 0.022 1
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0036 0.0213 0.5778
Mycobacterium ulcerans acyl-CoA synthetase 0.0037 0.022 0.0016
Schistosoma mansoni hypothetical protein 0.0027 0.0144 0.0384
Echinococcus granulosus neuropeptide receptor A26 0.045 0.3273 0.8692
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0122 0.0844 0.2243
Loa Loa (eye worm) hypothetical protein 0.0037 0.022 0.1658
Loa Loa (eye worm) hypothetical protein 0.002 0.0094 0.0706
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Mycobacterium leprae Probable exported protease 0.0037 0.022 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.0577 0.4347
Mycobacterium ulcerans hypothetical protein 0.0037 0.022 0.0016
Echinococcus multilocularis abhydrolase domain containing protein 3 0.0037 0.022 0.0306
Echinococcus granulosus abhydrolase domain containing protein 0.0037 0.022 0.0585
Mycobacterium leprae POSSIBLE EPOXIDE HYDROLASE EPHE (EPOXIDE HYDRATASE) (ARENE-OXIDE HYDRATASE) 0.0037 0.022 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.022 0.0016
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0487 0.0288
Mycobacterium tuberculosis Probable carboxylesterase CaeA 0.0037 0.022 0.0016
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0487 0.0677
Chlamydia trachomatis phosphoglycolate phosphatase 0.0035 0.0204 0.5
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Echinococcus multilocularis lysosomal acid lipase:cholesteryl ester 0.0037 0.022 0.0306
Mycobacterium ulcerans hydrolase 0.0037 0.022 0.0016
Mycobacterium ulcerans bromoperoxidase BpoC 0.0037 0.022 0.0016
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Echinococcus granulosus geminin 0.0127 0.0882 0.2343
Echinococcus multilocularis abhydrolase domain containing protein 16A 0.0037 0.022 0.0306
Mycobacterium ulcerans hypothetical protein 0.0037 0.022 0.0016
Trypanosoma brucei hydrolase, alpha/beta fold family, putative 0.0037 0.022 1
Mycobacterium ulcerans hypothetical protein 0.0037 0.022 0.0016
Echinococcus multilocularis microtubule associated protein 2 0.0516 0.3765 0.5235
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Brugia malayi alpha/beta hydrolase 0.0037 0.022 0.3813
Echinococcus granulosus haloacid dehalogenase hydrolase 0.0035 0.0204 0.0542
Mycobacterium ulcerans exported protease 0.0037 0.022 0.0016
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0204 0.862
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Loa Loa (eye worm) hydrolase 0.0037 0.022 0.1658
Loa Loa (eye worm) prolyl 4-hydroxylase 2 0.0036 0.0213 0.1607
Leishmania major hydrolase-like protein,esterase-like protein 0.0037 0.022 0.0245
Echinococcus multilocularis geminin 0.0127 0.0882 0.1227
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.0035 0.0204 0.3538
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Trypanosoma cruzi hydrolase-like protein, putative 0.0037 0.022 1
Schistosoma mansoni hydrolase 0.0037 0.022 0.0585
Schistosoma mansoni hypothetical protein 0.0027 0.0144 0.0384
Onchocerca volvulus Lipase homolog 0.0037 0.022 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0487 0.1293
Echinococcus multilocularis haloacid dehalogenase hydrolase 0.0035 0.0204 0.0284
Echinococcus multilocularis alkaline phosphatase 0.0122 0.0844 0.1174
Echinococcus multilocularis abhydrolase domain containing protein 11 0.0037 0.022 0.0306
Loa Loa (eye worm) hypothetical protein 0.0027 0.0144 0.1087
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0487 1
Brugia malayi HAD-superfamily hydrolase, subfamily IA, variant 3 containing protein 0.0035 0.0204 0.3538
Echinococcus granulosus neuropeptide s receptor 0.045 0.3273 0.8692
Onchocerca volvulus 0.0035 0.0204 0.9279
Wolbachia endosymbiont of Brugia malayi phosphatase 0.0035 0.0204 0.5
Giardia lamblia ENC6 protein 0.0037 0.022 1
Mycobacterium tuberculosis Possible epoxide hydrolase EphF (epoxide hydratase) (arene-oxide hydratase) 0.0037 0.022 0.0016
Plasmodium vivax hypothetical protein, conserved 0.0037 0.022 1
Brugia malayi HAD-superfamily hydrolase, subfamily IA, variant 1 containing protein 0.0035 0.0204 0.3538
Leishmania major hydrolase, alpha/beta fold family-like protein 0.0037 0.022 0.0245
Mycobacterium ulcerans lipase/esterase 0.0037 0.022 0.0016
Echinococcus multilocularis abhydrolase domain containing protein 0.0037 0.022 0.0306
Schistosoma mansoni hypothetical protein 0.0127 0.0882 0.2343
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Leishmania major hydrolase, alpha/beta fold family, putative 0.0037 0.022 0.0245
Schistosoma mansoni hypothetical protein 0.0058 0.0377 0.1001
Echinococcus granulosus lysosomal acid lipase:cholesteryl ester 0.0037 0.022 0.0585
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0204 0.862
Mycobacterium ulcerans peroxidase BpoB 0.0037 0.022 0.0016
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Mycobacterium ulcerans exported protease 0.0037 0.022 0.0016
Loa Loa (eye worm) haloacid dehalogenase-like hydrolase 0.0035 0.0204 0.1538
Echinococcus multilocularis GPCR, family 2 0.0027 0.0144 0.0201
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0204 0.862
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0487 0.1293
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0023 0.0116 0.0877
Treponema pallidum phosphoglycolate phosphatase 0.0035 0.0204 0.5
Mycobacterium tuberculosis Probable exported protease 0.0037 0.022 0.0016
Mycobacterium tuberculosis Possible haloalkane dehalogenase 0.0037 0.022 0.0016
Onchocerca volvulus Lipase homolog 0.0037 0.022 1
Loa Loa (eye worm) haloacid dehalogenase-like hydrolase 0.0035 0.0204 0.1538
Schistosoma mansoni choline dehydrogenase 0.0035 0.0204 0.0542
Schistosoma mansoni alkaline phosphatase 0.0122 0.0844 0.2243
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0086 0.0577 1
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Loa Loa (eye worm) abhydrolase domain-containing protein 2 0.0037 0.022 0.1658
Mycobacterium ulcerans lignin peroxidase LipJ 0.0037 0.022 0.0016
Mycobacterium ulcerans epoxide hydrolase EphE 0.0037 0.022 0.0016
Loa Loa (eye worm) hypothetical protein 0.0036 0.0213 0.1607
Brugia malayi UPF0017 protein CG3488 0.0037 0.022 0.3813
Mycobacterium ulcerans hypothetical protein 0.0037 0.022 0.0016
Plasmodium falciparum alpha/beta hydrolase, putative 0.0037 0.022 1
Trypanosoma brucei hydrolase, alpha/beta fold family, putative 0.0037 0.022 1
Mycobacterium leprae Probable exported protease 0.0037 0.022 1
Schistosoma mansoni hypothetical protein 0.0063 0.0412 0.1094
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.0035 0.0204 0.3538
Mycobacterium ulcerans haloalkane dehalogenase 0.0037 0.022 0.0016
Treponema pallidum phosphoglycolate phosphatase 0.0035 0.0204 0.5
Loa Loa (eye worm) HAD-superfamily hydrolase 0.0035 0.0204 0.1538
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0023 0.0116 0.2017
Trichomonas vaginalis hydrolase, putative 0.0037 0.022 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.022 1
Echinococcus granulosus alkaline phosphatase 0.0122 0.0844 0.2243
Echinococcus multilocularis neuropeptide receptor A26 0.045 0.3273 0.455
Echinococcus granulosus microtubule associated protein 2 0.0516 0.3765 1
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.0035 0.0204 0.3538
Mycobacterium tuberculosis Probable haloalkane dehalogenase 0.0037 0.022 0.0016
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0037 0.022 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0086 0.0577 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0027 0.0144 0.0201
Mycobacterium ulcerans 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD 0.0037 0.022 0.0016
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0487 0.0776
Loa Loa (eye worm) hypothetical protein 0.0037 0.022 0.1658
Mycobacterium tuberculosis Possible peroxidase BpoB (non-haem peroxidase) 0.0037 0.022 0.0016
Loa Loa (eye worm) HAD-superfamily hydrolase 0.0035 0.0204 0.1538
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0487 0.0288
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0204 0.862
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.7192 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0027 0.0144 0.0201
Mycobacterium tuberculosis Probable oxidoreductase 0.0037 0.022 0.0016
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0023 0.0116 0.0162
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0035 0.0204 0.862
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0487 0.0288
Onchocerca volvulus Epoxide hydrolase 1 homolog 0.0037 0.022 1
Echinococcus multilocularis prolyl 4 hydroxylase subunit alpha 1 0.0036 0.0213 0.0297
Loa Loa (eye worm) HAD-superfamily hydrolase 0.0035 0.0204 0.1538
Echinococcus granulosus abhydrolase domain containing protein 11 0.0037 0.022 0.0585

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.6964 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 (functional) 7.3753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 18.3489 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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