Detailed information for compound 427608

Basic information

Technical information
  • TDR Targets ID: 427608
  • Name: 3-hydroxy-5-methoxy-2-[(E)-3-phenylprop-2-eno yl]-4,6,6-tripropylcyclohexa-2,4-dien-1-one
  • MW: 396.519 | Formula: C25H32O4
  • H donors: 1 H acceptors: 3 LogP: 6.23 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC1=C(OC)C(C(=O)C(=C1O)C(=O)/C=C\c1ccccc1)(CCC)CCC
  • InChi: 1S/C25H32O4/c1-5-11-19-22(27)21(20(26)15-14-18-12-9-8-10-13-18)23(28)25(16-6-2,17-7-3)24(19)29-4/h8-10,12-15,27H,5-7,11,16-17H2,1-4H3/b15-14+
  • InChiKey: CYSLIUQOTXKRRJ-CCEZHUSRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-hydroxy-5-methoxy-2-[(E)-3-phenylprop-2-enoyl]-4,6,6-tripropyl-cyclohexa-2,4-dien-1-one
  • 3-hydroxy-5-methoxy-2-[(E)-1-oxo-3-phenylallyl]-4,6,6-tripropyl-1-cyclohexa-2,4-dienone
  • 3-hydroxy-5-methoxy-2-[(E)-3-phenylacryloyl]-4,6,6-tripropyl-cyclohexa-2,4-dien-1-one
  • 3-hydroxy-5-methoxy-2-[(E)-1-oxo-3-phenylprop-2-enyl]-4,6,6-tripropyl-1-cyclohexa-2,4-dienone

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
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0485 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0031 0.0165 0.0165
Loa Loa (eye worm) hypothetical protein 0.0023 0.0096 0.071
Echinococcus granulosus GPCR family 2 0.0016 0.0024 0.0025
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0141 0.0548
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.003 0.0157 0.061
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0095 0.0767 0.0767
Loa Loa (eye worm) haloacid dehalogenase-like hydrolase 0.0028 0.0141 0.1077
Loa Loa (eye worm) hypothetical protein 0.0017 0.0041 0.025
Giardia lamblia Fructose-bisphosphate aldolase 0.0288 0.2564 1
Brugia malayi HAD-superfamily hydrolase, subfamily IA, variant 3 containing protein 0.0028 0.0141 0.1161
Entamoeba histolytica hypothetical protein 0.0028 0.0141 0.0178
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2564 1
Echinococcus multilocularis lysosomal acid lipase:cholesteryl ester 0.003 0.0157 0.109
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2564 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0096 0.0096
Mycobacterium ulcerans exported protease 0.003 0.0157 0.0157
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0041 0.2947
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0041 0.1743
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0721 0.5021
Schistosoma mansoni intermediate filament proteins 0.0027 0.0126 0.0881
Echinococcus multilocularis lamin 0.0027 0.0126 0.0881
Mycobacterium ulcerans proline iminopeptidase PIP 0.003 0.0157 0.0157
Brugia malayi hydrolase, alpha/beta fold family protein 0.003 0.0157 0.1293
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.0028 0.0141 0.1161
Loa Loa (eye worm) hypothetical protein 0.0017 0.0041 0.025
Loa Loa (eye worm) hypothetical protein 0.0023 0.0096 0.071
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0033 0.0033
Onchocerca volvulus 0.0027 0.0126 0.499
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.0408 0.0408
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 0.121 0.8431
Brugia malayi hypothetical protein 0.0036 0.0212 0.1749
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.0034 0.0192 0.0192
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Brugia malayi Alpha/beta hydrolase 0.003 0.0157 0.1293
Mycobacterium tuberculosis Probable haloalkane dehalogenase 0.003 0.0157 0.0157
Loa Loa (eye worm) hydrolase 0.003 0.0157 0.121
Mycobacterium tuberculosis Possible epoxide hydrolase EphF (epoxide hydratase) (arene-oxide hydratase) 0.003 0.0157 0.0157
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0141 0.1191 1
Entamoeba histolytica HAD hydrolase, family IA, variant 3 0.0028 0.0141 0.0178
Loa Loa (eye worm) hypothetical protein 0.0017 0.0041 0.025
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.0485 0.338
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 0.121 0.8431
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0141 0.0548
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0234 0.1627
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0408 0.0435
Mycobacterium ulcerans hydrolase 0.003 0.0157 0.0157
Mycobacterium ulcerans 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD 0.003 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.0049 0.0337 0.2713
Entamoeba histolytica HAD hydrolase, family IA, variant 3 0.0028 0.0141 0.0178
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Echinococcus granulosus leukotriene A 4 hydrolase 0.0114 0.0945 0.1007
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.1173 0.1249
Schistosoma mansoni 2-deoxyglucose-6-phosphate phosphatase 0.0028 0.0141 0.0979
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0141 0.0548
Trypanosoma cruzi hydrolase-like protein, putative 0.003 0.0157 0.3226
Mycobacterium ulcerans hydrolase 0.0028 0.0141 0.0141
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.003 0.0157 0.061
Schistosoma mansoni hypothetical protein 0.0167 0.1436 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.027 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0157 0.121
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0229 0.8466
Trypanosoma cruzi hydrolase-like protein, putative 0.003 0.0157 0.3226
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.003 0.0157 0.061
Echinococcus granulosus abhydrolase domain containing protein 0.003 0.0157 0.0167
Leishmania major hydrolase-like protein,esterase-like protein 0.003 0.0157 0.3226
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0096 0.1989
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0408 0.0408
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0024 0.0025
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Echinococcus granulosus haloacid dehalogenase hydrolase 0.0028 0.0141 0.015
Mycobacterium ulcerans epoxide hydrolase EphB 0.003 0.0157 0.0157
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0141 0.2897
Schistosoma mansoni lamin 0.0027 0.0126 0.0881
Mycobacterium tuberculosis Probable dehydrogenase 0.0086 0.0677 0.0677
Wolbachia endosymbiont of Brugia malayi phosphatase 0.0028 0.0141 1
Mycobacterium ulcerans exported protease 0.003 0.0157 0.0157
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0114 0.0945 0.6585
Entamoeba histolytica haloacid dehalogenase-like hydrolase domain-containing protein 0.0028 0.0141 0.0178
Trichomonas vaginalis valacyclovir hydrolase, putative 0.003 0.0157 0.061
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0086 0.0677 0.0677
Echinococcus multilocularis GPCR, family 2 0.0016 0.0024 0.0164
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.0485 0.3952
Entamoeba histolytica HAD hydrolase, family IA, variant 3 0.0028 0.0141 0.0178
Brugia malayi glutathione reductase 0.0038 0.0229 0.1891
Onchocerca volvulus Lipase homolog 0.003 0.0157 1
Brugia malayi hydrolase, alpha/beta fold family protein 0.003 0.0157 0.1293
Echinococcus multilocularis abhydrolase domain containing protein 11 0.003 0.0157 0.109
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0126 0.096
Entamoeba histolytica haloacid dehalogenase-like hydrolase domain-containing protein 0.0028 0.0141 0.0178
Mycobacterium tuberculosis Conserved hypothetical protein 0.0028 0.0141 0.0141
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0485 1
Echinococcus multilocularis abhydrolase domain containing 3 0.003 0.0157 0.109
Schistosoma mansoni hypothetical protein 0.0016 0.0024 0.0164
Trypanosoma brucei hydrolase, alpha/beta fold family, putative 0.003 0.0157 0.3226
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0126 0.096
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Brugia malayi Thioredoxin reductase 0.0038 0.0229 0.1891
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0721 0.5021
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0238 1
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0141 0.0548
Loa Loa (eye worm) HAD-superfamily hydrolase 0.0028 0.0141 0.1077
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0238 0.0572
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0141 0.1191 0.1191
Echinococcus multilocularis abhydrolase domain containing protein 3 0.003 0.0157 0.109
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.0721 0.5917
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0337 0.2782
Schistosoma mansoni hypothetical protein 0.0036 0.0212 0.1475
Schistosoma mansoni choline dehydrogenase 0.0028 0.0141 0.0979
Loa Loa (eye worm) HAD-superfamily hydrolase 0.0028 0.0141 0.1077
Mycobacterium tuberculosis Probable carboxylesterase CaeA 0.003 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.0017 0.0041 0.025
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.027 0.1054
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.027 0.0288
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2564 1
Mycobacterium ulcerans hypothetical protein 0.0023 0.0096 0.0096
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.0485 0.4008
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0095 0.0767 0.0767
Giardia lamblia ENC6 protein 0.003 0.0157 0.061
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Entamoeba histolytica hypothetical protein 0.0036 0.0212 0.0467
Leishmania major hydrolase-like protein 0.003 0.0157 0.3226
Trypanosoma cruzi glycosyl hydrolase, putative 0.0028 0.0141 0.2897
Mycobacterium ulcerans hypothetical protein 0.0028 0.0141 0.0141
Mycobacterium ulcerans oxidoreductase 0.003 0.0157 0.0157
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0096 0.0096
Mycobacterium tuberculosis Possible peroxidase BpoB (non-haem peroxidase) 0.003 0.0157 0.0157
Mycobacterium ulcerans hypothetical protein 0.0028 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0017 0.0041 0.025
Mycobacterium tuberculosis Possible epoxide hydrolase EphE (epoxide hydratase) (arene-oxide hydratase) 0.003 0.0157 0.0157
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0238 0.0927
Onchocerca volvulus 0.0028 0.0141 0.7339
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0192 0.1584
Loa Loa (eye worm) hypothetical protein 0.0027 0.0126 0.096
Entamoeba histolytica alpha/beta hydrolase domain protein, putative 0.003 0.0157 0.0243
Brugia malayi intermediate filament protein 0.0027 0.0126 0.1045
Giardia lamblia Hydrolase, haloacid dehalogenase-like family 0.0028 0.0141 0.0548
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0024 0.0164
Loa Loa (eye worm) hypothetical protein 0.0028 0.0141 0.1077
Loa Loa (eye worm) haloacid dehalogenase-like hydrolase 0.0028 0.0141 0.1077
Toxoplasma gondii alpha/beta hydrolase, putative 0.003 0.0157 0.579
Mycobacterium ulcerans hydrolase 0.003 0.0157 0.0157
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0141 0.0548
Plasmodium vivax hypothetical protein, conserved 0.003 0.0157 0.579
Loa Loa (eye worm) hypothetical protein 0.003 0.0157 0.121
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0288 0.2564 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0096 0.0096
Brugia malayi Hypothetical 54.7 kDa protein F37A4.1 in chromosome III 0.003 0.0157 0.1293
Mycobacterium tuberculosis Possible phosphatase 0.0028 0.0141 0.0141
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0157 0.3226
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.027 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0096 0.0797
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2564 1
Brugia malayi HAD-superfamily hydrolase, subfamily IA, variant 1 containing protein 0.0028 0.0141 0.1161
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Echinococcus multilocularis abhydrolase domain containing protein 16A 0.003 0.0157 0.109
Mycobacterium tuberculosis Probable oxidoreductase 0.003 0.0157 0.0157
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0096 0.0096
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0011 0.0094
Brugia malayi hypothetical protein 0.0103 0.0835 0.6898
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Mycobacterium ulcerans bromoperoxidase BpoC 0.003 0.0157 0.0157
Mycobacterium ulcerans lignin peroxidase LipJ 0.003 0.0157 0.0157
Mycobacterium ulcerans hypothetical protein 0.003 0.0157 0.0157
Plasmodium falciparum haloacid dehalogenase-like hydrolase, putative 0.0028 0.0141 0.5914
Mycobacterium ulcerans haloalkane dehalogenase 0.003 0.0157 0.0157
Plasmodium falciparum acid cluster protein 33 homologue, putative 0.003 0.0157 0.6585
Schistosoma mansoni hypothetical protein 0.0016 0.0024 0.0164
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0114 0.0945 0.6585
Schistosoma mansoni lamin 0.0027 0.0126 0.0881
Leishmania major hypothetical protein, conserved 0.003 0.0157 0.3226
Trypanosoma brucei trypanothione reductase 0.0038 0.0229 0.4716
Loa Loa (eye worm) ab-hydrolase associated lipase region family protein 0.003 0.0157 0.121
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0096 0.0096
Mycobacterium ulcerans epoxide hydrolase EphE 0.003 0.0157 0.0157
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.0485 1
Mycobacterium ulcerans hypothetical protein 0.003 0.0157 0.0157
Leishmania major trypanothione reductase 0.0038 0.0229 0.4716
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.0408 0.3374
Trichomonas vaginalis hydrolase, putative 0.003 0.0157 0.061
Echinococcus granulosus lamin 0.0027 0.0126 0.0135
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0041 0.0041
Giardia lamblia Hydrolase, putative 0.0028 0.0141 0.0548
Mycobacterium ulcerans homoserine O-acetyltransferase 0.003 0.0157 0.0157
Mycobacterium ulcerans epoxide hydrolase EphF 0.003 0.0157 0.0157
Treponema pallidum phosphoglycolate phosphatase 0.0028 0.0141 0.0548
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.0028 0.0141 0.1161
Trypanosoma cruzi hydrolase-like protein 0.003 0.0157 0.3226
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0126 0.1045
Schistosoma mansoni hypothetical protein 0.0034 0.0192 0.1336
Onchocerca volvulus 0.0028 0.0141 0.7339
Echinococcus granulosus haloacid dehalogenase hydrolase 0.0028 0.0141 0.015
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0212 0.1475
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0141 0.1191 0.1191
Entamoeba histolytica HAD hydrolase, family IA, variant 3 0.0028 0.0141 0.0178
Entamoeba histolytica alpha/beta hydrolase fold protein, putative 0.003 0.0157 0.0243
Mycobacterium tuberculosis Probable reductase 0.0086 0.0677 0.0677
Schistosoma mansoni hypothetical protein 0.0016 0.0024 0.0164
Echinococcus granulosus lysosomal acid lipase:cholesteryl ester 0.003 0.0157 0.0167
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0086 0.0677 0.0677
Mycobacterium ulcerans non-heme haloperoxidase Hpx 0.003 0.0157 0.0157
Echinococcus granulosus abhydrolase domain containing protein 3 0.003 0.0157 0.0167
Mycobacterium ulcerans epoxide hydrolase EphA 0.1086 1 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.027 0.1054
Trypanosoma cruzi hydrolase, alpha/beta fold family, putative 0.003 0.0157 0.3226
Echinococcus multilocularis abhydrolase domain containing protein 0.003 0.0157 0.109
Plasmodium falciparum epoxide hydrolase 1 0.003 0.0157 0.6585
Onchocerca volvulus Epoxide hydrolase 1 homolog 0.003 0.0157 1
Loa Loa (eye worm) HAD-superfamily hydrolase 0.0028 0.0141 0.1077
Mycobacterium ulcerans lipase/esterase 0.003 0.0157 0.0157
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0114 0.0945 0.779
Echinococcus granulosus lamin dm0 0.0027 0.0126 0.0135
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0721 0.5021
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2564 1
Plasmodium falciparum alpha/beta hydrolase, putative 0.003 0.0157 0.6585
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0096 0.0096
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0234 0.0249
Plasmodium vivax haloacid dehalogenase-like hydrolase, putative 0.0028 0.0141 0.52
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Leishmania major hypothetical protein, conserved 0.003 0.0157 0.3226
Entamoeba histolytica haloacid dehalogenase-like hydrolase domain-containing protein 0.0028 0.0141 0.0178
Onchocerca volvulus 0.0027 0.0126 0.499
Leishmania major hydrolase, alpha/beta fold family-like protein 0.003 0.0157 0.3226
Entamoeba histolytica hypothetical protein 0.0036 0.0212 0.0467
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Echinococcus multilocularis lysosomal acid lipase:cholesteryl ester 0.003 0.0157 0.109
Echinococcus granulosus abhydrolase domain containing protein 11 0.003 0.0157 0.0167
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0033 0.0033
Leishmania major hydrolase, alpha/beta fold family, putative 0.003 0.0157 0.3226
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0096 0.0797
Entamoeba histolytica hypothetical protein 0.0028 0.0141 0.0178
Loa Loa (eye worm) HAD-superfamily hydrolase 0.0028 0.0141 0.1077
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0141 0.0548
Loa Loa (eye worm) glutathione reductase 0.0038 0.0229 0.1814
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.003 0.0157 0.061
Mycobacterium leprae POSSIBLE SECRETED PROTEASE 0.003 0.0157 0.0549
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.0408 0.8418
Brugia malayi acetyltransferase, GNAT family protein 0.0143 0.121 1
Schistosoma mansoni hypothetical protein 0.0016 0.0024 0.0164
Treponema pallidum phosphoglycolate phosphatase 0.0028 0.0141 0.0548
Mycobacterium leprae Probable exported protease 0.003 0.0157 0.0549
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0157 0.3226
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.0408 0.2845
Mycobacterium ulcerans lipase/esterase 0.003 0.0157 0.0157
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0721 0.0768
Entamoeba histolytica HAD hydrolase, family IA, variant 3 0.0028 0.0141 0.0178
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0337 0.2782
Loa Loa (eye worm) hypothetical protein 0.0034 0.0192 0.1504
Mycobacterium leprae Probable homoserine o-acetyltransferase MetA 0.003 0.0157 0.0549
Echinococcus multilocularis haloacid dehalogenase hydrolase 0.0028 0.0141 0.0979
Mycobacterium ulcerans hypothetical protein 0.003 0.0157 0.0157
Entamoeba histolytica HAD hydrolase, family IA, variant 3 0.0028 0.0141 0.0178
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0024 0.0025
Brugia malayi alpha/beta hydrolase 0.003 0.0157 0.1293
Entamoeba histolytica hypothetical protein 0.0036 0.0212 0.0467
Loa Loa (eye worm) acetyltransferase 0.0143 0.121 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0721 0.5021
Mycobacterium ulcerans haloalkane dehalogenase 0.003 0.0157 0.0157
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0024 0.0195
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0096 0.0797
Plasmodium vivax hypothetical protein, conserved 0.003 0.0157 0.579
Mycobacterium ulcerans peroxidase BpoB 0.003 0.0157 0.0157
Toxoplasma gondii homoserine O-acetyltransferase, putative 0.003 0.0157 0.579
Echinococcus multilocularis haloacid dehalogenase hydrolase 0.0028 0.0141 0.0979
Plasmodium vivax hypothetical protein, conserved 0.003 0.0157 0.579
Chlamydia trachomatis phosphoglycolate phosphatase 0.0028 0.0141 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0721 0.5021
Plasmodium vivax alpha/beta hydrolase, putative 0.003 0.0157 0.579
Mycobacterium tuberculosis Protein tyrosine kinase transcriptional regulatory protein PtkA 0.0028 0.0141 0.0141
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0096 0.0096
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.027 1
Mycobacterium leprae POSSIBLE EPOXIDE HYDROLASE EPHE (EPOXIDE HYDRATASE) (ARENE-OXIDE HYDRATASE) 0.003 0.0157 0.0549
Leishmania major hydrolase-like protein,esterase-like protein 0.003 0.0157 0.3226
Mycobacterium tuberculosis Probable homoserine O-acetyltransferase MetA (homoserine O-trans-acetylase) (homoserine transacetylase) (HTA) 0.003 0.0157 0.0157
Plasmodium falciparum glutathione reductase 0.0038 0.0229 0.9629
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.023 0.16
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2564 1
Schistosoma mansoni hypothetical protein 0.0167 0.1436 1
Toxoplasma gondii thioredoxin reductase 0.0038 0.0229 0.8466
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Mycobacterium leprae Probable exported protease 0.003 0.0157 0.0549
Schistosoma mansoni family S33 non-peptidase homologue (S33 family) 0.003 0.0157 0.109
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0033 0.0033
Mycobacterium tuberculosis Possible haloalkane dehalogenase DhaA (1-chlorohexane halidohydrolase) 0.003 0.0157 0.0157
Treponema pallidum fructose-bisphosphate aldolase 0.0288 0.2564 1
Giardia lamblia Phosphoglycolate phosphatase 0.0028 0.0141 0.0548
Mycobacterium leprae Probable hydrolase 0.0028 0.0141 0.0403
Giardia lamblia Phosphoglycolate phosphatase 0.0028 0.0141 0.0548
Echinococcus granulosus transcription factor Dp 1 0.0038 0.023 0.0245
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2564 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0041 0.1533
Loa Loa (eye worm) hypothetical protein 0.0026 0.0122 0.0922
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0086 0.0677 0.531
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0024 0.0102
Echinococcus granulosus Solute carrier family 22 5 0.102 0.939 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0337 0.2713
Trypanosoma brucei hydrolase, alpha/beta fold family, putative 0.003 0.0157 0.3226
Brugia malayi UPF0017 protein CG3488 0.003 0.0157 0.1293
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0373 0.3014
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0141 0.0548
Mycobacterium tuberculosis Probable hydrolase 0.0028 0.0141 0.0141
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0016 0.0024 0.0102
Echinococcus multilocularis musashi 0.0027 0.0126 0.0881
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.003 0.0157 0.061
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.0485 0.1575
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0212 0.0225
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.003 0.0157 0.061
Onchocerca volvulus Lipase homolog 0.003 0.0157 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0212 0.1475
Mycobacterium ulcerans hydrolase 0.0028 0.0141 0.0141
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0086 0.0677 0.0677
Echinococcus multilocularis geminin 0.0167 0.1436 1
Echinococcus granulosus intermediate filament protein 0.0027 0.0126 0.0135
Loa Loa (eye worm) abhydrolase domain-containing protein 2 0.003 0.0157 0.121
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0024 0.0195
Mycobacterium tuberculosis Conserved protein 0.003 0.0157 0.0157
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0485 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.0485 0.0517
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0034 0.0192 0.0875
Entamoeba histolytica hypothetical protein 0.0036 0.0212 0.0467
Echinococcus granulosus geminin 0.0167 0.1436 0.1529
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0141 0.0548
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.0485 0.338
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0041 0.0041
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0096 0.1989
Mycobacterium tuberculosis Probable oxidoreductase 0.0095 0.0767 0.0767
Mycobacterium tuberculosis Probable exported protease 0.003 0.0157 0.0157
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0288 0.2564 1
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.0028 0.0141 0.1161
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0086 0.0677 0.0677
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.0721 0.5956
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.0028 0.0141 0.1161
Plasmodium vivax glutathione reductase, putative 0.0038 0.0229 0.8466
Trichomonas vaginalis 2-deoxyglucose-6-phosphate phosphatase, putative 0.0028 0.0141 0.0548
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0033 0.0033
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0157 0.3226
Leishmania major serine peptidase, putative,serine peptidase, Clan SC, Family S9D 0.003 0.0157 0.3226
Echinococcus multilocularis lamin dm0 0.0027 0.0126 0.0881
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0229 0.1814
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0408 0.0408
Loa Loa (eye worm) hypothetical protein 0.0023 0.0096 0.071
Mycobacterium tuberculosis Possible haloalkane dehalogenase 0.003 0.0157 0.0157
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0024 0.0164
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.0229 0.4716
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0095 0.0767 0.6125
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2564 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0096 0.1989
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0096 0.0096
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0721 0.0768
Schistosoma mansoni hydrolase 0.003 0.0157 0.109
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0408 0.2845
Entamoeba histolytica hypothetical protein 0.003 0.0157 0.0243
Mycobacterium ulcerans hypothetical protein 0.003 0.0157 0.0157
Plasmodium falciparum thioredoxin reductase 0.0038 0.0229 0.9629
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.0229 0.0229
Mycobacterium ulcerans short chain dehydrogenase 0.0034 0.0192 0.0192

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) 0 Cytotoxicity against HUVEC ChEMBL. 17569518
ED50 (functional) = 0.6 ug ml-1 Cytotoxicity against human KB cells ChEMBL. 17569518
ED50 (functional) = 0.8 ug ml-1 Cytotoxicity against human vincristine-resistant KB cells ChEMBL. 17569518
ED50 (functional) = 1.4 ug ml-1 Cytotoxicity against human A549 cells ChEMBL. 17569518
ED50 (functional) = 1.4 ug ml-1 Cytotoxicity against human HCT8 cells ChEMBL. 17569518
ED50 (functional) = 1.5 ug ml-1 Cytotoxicity against human 1A9 cells ChEMBL. 17569518
ED50 (functional) = 1.9 ug ml-1 Cytotoxicity against human A431 cells ChEMBL. 17569518
ED50 (functional) = 3.3 ug ml-1 Cytotoxicity against human PC3 cells ChEMBL. 17569518
ED50 (functional) < 4 ug ml-1 Antiangiogenesis activity against HUVEC ChEMBL. 17569518

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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