Detailed information for compound 1799005

Basic information

Technical information
  • TDR Targets ID: 1799005
  • Name: (Z)-4-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetrame thyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-y l]but-3-en-2-one
  • MW: 278.43 | Formula: C18H30O2
  • H donors: 1 H acceptors: 2 LogP: 4.01 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)/C=C\[C@H]1[C@](C)(O)CCC2[C@]1(C)CCCC2(C)C
  • InChi: 1S/C18H30O2/c1-13(19)7-8-15-17(4)11-6-10-16(2,3)14(17)9-12-18(15,5)20/h7-8,14-15,20H,6,9-12H2,1-5H3/b8-7-/t14?,15-,17+,18-/m1/s1
  • InChiKey: SNUHZNCSBAQVJV-DPGSLPGRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (Z)-4-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]but-3-en-2-one
  • (Z)-4-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-1-decalinyl]but-3-en-2-one
  • Spectrum5_001614
  • SDCCGMLS-0066873.P001
  • SPECTRUM300060
  • BSPBio_002855

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 histone acetyltransferase KAT2B 0.0042 0.0134 0.0305
Echinococcus granulosus pyruvate kinase 0.0017 0.0029 0.0022
Schistosoma mansoni chromosome transmission fidelity factor 0.002 0.004 0.005
Loa Loa (eye worm) hypothetical protein 0.0901 0.3711 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0055 0.013
Brugia malayi Latrophilin receptor protein 2 0.0064 0.0223 0.2729
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.004 0.005
Echinococcus multilocularis sterol regulatory element binding protein 0.0083 0.0305 0.0284
Echinococcus granulosus Niemann Pick C1 protein 0.0194 0.0766 0.2019
Giardia lamblia Replication factor C, subunit 1 0.002 0.004 0.0048
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0119 0.0418
Trichomonas vaginalis conserved hypothetical protein 0.002 0.004 0.0201
Onchocerca volvulus 0.0235 0.0935 0.2505
Loa Loa (eye worm) hypothetical protein 0.0037 0.011 0.028
Onchocerca volvulus Protein UBASH3A homolog 0.0015 0.0021 0.0039
Brugia malayi Patched related family protein 12 0.0012 0.0007 0.0085
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.0539 0.1403
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0027 0.0063
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0035 0.2251
Echinococcus multilocularis nibrin 0.002 0.004 0.0018
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0097 0.0831
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0035 0.0077
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0097 0.0206
Loa Loa (eye worm) hypothetical protein 0.0083 0.0305 0.0804
Plasmodium falciparum phosphoglycerate mutase, putative 0.0015 0.0021 0.1279
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0097 0.0832
Echinococcus multilocularis GPCR, family 2 0.0064 0.0223 0.0202
Toxoplasma gondii ABC1 family protein 0.0037 0.011 0.8173
Loa Loa (eye worm) latrophilin receptor protein 2 0.0064 0.0223 0.0583
Mycobacterium tuberculosis Conserved protein 0.0037 0.011 0.0979
Toxoplasma gondii phosphoglycerate mutase family protein 0.0015 0.0021 0.1131
Entamoeba histolytica hypothetical protein 0.0035 0.0105 0.0389
Toxoplasma gondii ATPase, AAA family protein 0.002 0.004 0.2577
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0076 0.015
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.002 0.004 0.2053
Echinococcus multilocularis Niemann Pick C1 protein 0.0194 0.0766 0.0747
Onchocerca volvulus 0.0037 0.011 0.028
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0056 0.3855
Loa Loa (eye worm) hypothetical protein 0.0201 0.0795 0.2127
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0119 0.0454
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0035 0.0038
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0056 0.016
Toxoplasma gondii phosphoglycerate mutase 0.0015 0.0021 0.1131
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0035 0.0156
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0097 0.0206
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0105 0.0227
Loa Loa (eye worm) acetyltransferase 0.0144 0.0556 0.1481
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.0464 0.1234
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.002 0.004 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0901 0.3711 1
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.0385 0.1559 0.4169
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0097 0.119
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0055 0.013
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.002 0.004 0.0201
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0134 1
Brugia malayi Myosin head containing protein 0.0012 0.0007 0.0085
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.0088
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Schistosoma mansoni hypothetical protein 0.0035 0.0105 0.0227
Brugia malayi beta-lactamase family protein 0.0037 0.011 0.1354
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0097 0.0353
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.011 0.0242
Giardia lamblia Hypothetical protein 0.0532 0.2173 1
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0056 0.016
Schistosoma mansoni hypothetical protein 0.0137 0.053 0.1379
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0056 0.0093
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.0556 0.6807
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.011 0.0977
Plasmodium vivax phosphoglycerate mutase, putative 0.0015 0.0021 0.1131
Trichomonas vaginalis conserved hypothetical protein 0.002 0.004 0.0201
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0097 0.0206
Toxoplasma gondii phosphoglycerate mutase family protein 0.0015 0.0021 0.1131
Brugia malayi hypothetical protein 0.0012 0.0007 0.0085
Echinococcus granulosus tumor protein p63 0.0335 0.1351 0.3604
Brugia malayi hypothetical protein 0.002 0.004 0.0485
Loa Loa (eye worm) hypothetical protein 0.0023 0.0056 0.0132
Echinococcus granulosus sterol regulatory element binding protein 0.0083 0.0305 0.0769
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0901 0.3711 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0223 0.0583
Mycobacterium leprae Probable pyruvate kinase PykA 0.0033 0.0097 0.85
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.002 0.004 0.0485
Loa Loa (eye worm) hypothetical protein 0.0015 0.0021 0.0039
Echinococcus granulosus GPCR family 2 0.0064 0.0223 0.0546
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0097 0.0831
Loa Loa (eye worm) hypothetical protein 0.0037 0.011 0.028
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0097 0.0244
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0201 0.0795 0.2127
Trichomonas vaginalis conserved hypothetical protein 0.002 0.004 0.0201
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0056 0.016
Plasmodium vivax pyruvate kinase 2, putative 0.0017 0.0029 0.177
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0097 0.7117
Echinococcus multilocularis Niemann Pick C1 protein 0.0277 0.1113 0.1094
Echinococcus granulosus nibrin 0.002 0.004 0.005
Echinococcus multilocularis pyruvate kinase 0.0033 0.0097 0.0076
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.011 0.0089
Schistosoma mansoni hypothetical protein 0.0064 0.0223 0.0546
Echinococcus granulosus Protein patched homolog 1 0.0083 0.0305 0.0769
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0035 0.0155
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.002 0.004 0.2577
Plasmodium vivax hypothetical protein, conserved 0.0037 0.011 0.8173
Loa Loa (eye worm) hypothetical protein 0.0018 0.0031 0.0065
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0097 0.0244
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0056 0.0093
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.002 0.004 0.0201
Brugia malayi phosphoglycerate mutase family protein 0.0015 0.0021 0.026
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0035 0.0028
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0234 0.0933 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.011 0.0979
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.011 0.0415
Trichomonas vaginalis esterase, putative 0.0037 0.011 0.0977
Loa Loa (eye worm) hypothetical protein 0.0517 0.211 0.5676
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0081 0.5845
Schistosoma mansoni ap endonuclease 0.0019 0.0035 0.0038
Brugia malayi protein C24B5.3 0.0012 0.0007 0.0085
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.0901 0.3711 0.3698
Mycobacterium ulcerans hypothetical protein 0.0023 0.0056 0.016
Plasmodium vivax replication factor C subunit 1, putative 0.002 0.004 0.2577
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.011 0.0977
Onchocerca volvulus Protein UBASH3A homolog 0.0015 0.0021 0.0039
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.0088
Onchocerca volvulus 0.002 0.004 0.0088
Schistosoma mansoni pyruvate kinase 0.0017 0.0029 0.0022
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.0532 0.2173 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0035 0.2545
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.011 0.1354
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0097 0.0206
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.011 0.0242
Echinococcus granulosus pyruvate kinase 0.0017 0.0029 0.0022
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.002 0.004 0.005
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0035 0.0066
Mycobacterium tuberculosis Conserved protein 0.0037 0.011 0.0979
Toxoplasma gondii pyruvate kinase PyKII 0.0017 0.0029 0.177
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0081 0.006
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.0886 0.3648 0.9828
Echinococcus multilocularis pyruvate kinase 0.0017 0.0029 0.0008
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0056 0.0377
Brugia malayi latrophilin 2 splice variant baaae 0.0137 0.053 0.6495
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0081 0.0162
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.011 0.0979
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0901 0.3711 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0056 0.3855
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0064 0.0223 0.2729
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0056 0.016
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0385 0.1559 0.4169
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0097 0.0244
Loa Loa (eye worm) hypothetical protein 0.0886 0.3648 0.9829
Echinococcus granulosus Niemann Pick C1 protein 0.0277 0.1113 0.2959
Plasmodium vivax SET domain protein, putative 0.003 0.0081 0.5845
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0064 0.0223 0.0202
Echinococcus granulosus pyruvate kinase 0.0033 0.0097 0.0206
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.0088
Echinococcus granulosus pyruvate kinase 0.0033 0.0097 0.0206
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0105 0.0084
Plasmodium falciparum pyruvate kinase 2 0.0017 0.0029 0.2001
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0134 1
Mycobacterium ulcerans hypothetical protein 0.0037 0.011 0.0415
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0119 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0035 0.0434
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0064 0.0223 0.0546
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0064 0.0223 0.0546
Echinococcus multilocularis protein patched 0.0083 0.0305 0.0284
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.002 0.004 0.0201
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.011 0.0242
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.004 0.005
Loa Loa (eye worm) beta-lactamase 0.0037 0.011 0.028
Loa Loa (eye worm) hypothetical protein 0.0037 0.011 0.028
Loa Loa (eye worm) hypothetical protein 0.0018 0.0031 0.0065
Trichomonas vaginalis set domain proteins, putative 0.0235 0.0935 1
Plasmodium vivax phosphoglucomutase-2, putative 0.0015 0.0021 0.1131
Brugia malayi topoisomerase 0.002 0.004 0.0485
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0056 0.016
Mycobacterium ulcerans beta-lactamase 0.0037 0.011 0.0415
Brugia malayi Pre-SET motif family protein 0.0206 0.0816 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.011 0.028
Brugia malayi Calcitonin receptor-like protein seb-1 0.0201 0.0795 0.9739
Toxoplasma gondii phosphoglycerate mutase PGMII 0.0015 0.0021 0.1131
Treponema pallidum DNA ligase (lig) 0.002 0.004 1
Schistosoma mansoni hypothetical protein 0.0064 0.0223 0.0546
Loa Loa (eye worm) hypothetical protein 0.0015 0.0021 0.0039
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0134 0.1231
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0901 0.3711 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.011 0.0979
Loa Loa (eye worm) hypothetical protein 0.0033 0.0097 0.0244
Onchocerca volvulus Protein UBASH3A homolog 0.0015 0.0021 0.0039
Chlamydia trachomatis pyruvate kinase 0.0033 0.0097 1
Brugia malayi Patched protein homolog 1 0.0012 0.0007 0.0085
Schistosoma mansoni pyruvate kinase 0.0033 0.0097 0.0206
Schistosoma mansoni hypothetical protein 0.008 0.0292 0.0735
Onchocerca volvulus 0.003 0.0081 0.02
Plasmodium falciparum pyruvate kinase 0.0033 0.0097 0.8047
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0035 0.0038
Echinococcus multilocularis pyruvate kinase 0.0033 0.0097 0.0076
Schistosoma mansoni pyruvate kinase 0.0033 0.0097 0.0206
Trichomonas vaginalis replication factor C large subunit, putative 0.002 0.004 0.0201
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.002 0.004 0.0085
Echinococcus multilocularis expressed conserved protein 0.0182 0.0717 0.0698
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0886 0.3648 0.9828
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Brugia malayi hypothetical protein 0.0012 0.0007 0.0085
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0305 0.3105
Echinococcus granulosus expressed conserved protein 0.0182 0.0717 0.1886
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0056 0.0682
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0064 0.0223 0.0202
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.011 0.0977
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.0088
Brugia malayi hypothetical protein 0.002 0.004 0.0485
Toxoplasma gondii exonuclease III APE 0.0019 0.0035 0.2251
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0097 0.0244
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0027 0.0063
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0035 0.0014
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0081 0.0162
Onchocerca volvulus 0.0037 0.011 0.028
Toxoplasma gondii phosphoglycerate mutase family protein 0.0015 0.0021 0.1131
Entamoeba histolytica hypothetical protein 0.0035 0.0105 0.0389
Brugia malayi hypothetical protein 0.0035 0.0105 0.1286
Schistosoma mansoni 6-phosphofructokinase 0.0901 0.3711 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0021 0.0039
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0134 0.1231
Echinococcus multilocularis pyruvate kinase 0.0017 0.0029 0.0008
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.0055 0.0157
Plasmodium falciparum replication factor C subunit 1, putative 0.002 0.004 0.2913
Leishmania major hypothetical protein, conserved 0.0037 0.011 0.0242
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0162 0.0381
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0035 0.0038
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.011 0.0242
Loa Loa (eye worm) hypothetical protein 0.0023 0.0056 0.0132
Loa Loa (eye worm) hypothetical protein 0.0037 0.011 0.028
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0056 0.016
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.011 0.0977
Plasmodium falciparum phosphoglucomutase-2 0.0015 0.0021 0.1279
Mycobacterium leprae conserved hypothetical protein 0.0037 0.011 1
Leishmania major pyruvate kinase 0.0033 0.0097 0.0206
Loa Loa (eye worm) hypothetical protein 0.0102 0.0383 0.1015
Loa Loa (eye worm) hypothetical protein 0.0137 0.053 0.1412
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0035 0.7747
Schistosoma mansoni hypothetical protein 0.0064 0.0223 0.0546
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.011 0.0242
Echinococcus multilocularis protein dispatched 1 0.0095 0.0354 0.0333
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0056 0.016
Onchocerca volvulus 0.0901 0.3711 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0134 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0056 0.016
Brugia malayi protein C24B5.3 0.0012 0.0007 0.0085
Brugia malayi Patched related family protein 10 0.0012 0.0007 0.0085
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0532 0.2173 1
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Trypanosoma cruzi FHA domain containing protein, putative 0.002 0.004 0.005
Schistosoma mansoni hypothetical protein 0.0064 0.0223 0.0546
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Loa Loa (eye worm) hypothetical protein 0.0018 0.0031 0.0065
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0056 0.016
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.011 0.0979
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0081 0.006
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0083 0.0305 0.0804
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.0556 0.1448
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0056 0.0682
Onchocerca volvulus 0.0015 0.0021 0.0039
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.002 0.004 0.0201
Schistosoma mansoni topbp1 0.002 0.004 0.005
Entamoeba histolytica hypothetical protein 0.0035 0.0105 0.0389
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0031 0.1896
Loa Loa (eye worm) hypothetical protein 0.0023 0.0056 0.0132
Brugia malayi UBASH3A protein homolog 0.0015 0.0021 0.026
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0385 0.1559 0.4169
Brugia malayi DKFZp564C0469 protein 0.002 0.004 0.0485
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Onchocerca volvulus 0.0015 0.0021 0.0039
Schistosoma mansoni hypothetical protein 0.008 0.0292 0.0735
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0197 0.0779 0.2053
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0031 0.0045
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0031 0.2143
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.011 0.0979
Loa Loa (eye worm) hypothetical protein 0.0037 0.011 0.028
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0035 0.0038
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0385 0.1559 0.4169
Mycobacterium leprae Probable lipase LipE 0.0037 0.011 1
Echinococcus multilocularis pyruvate kinase 0.0026 0.0068 0.0047
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0886 0.3648 0.9828
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Brugia malayi phosphoglycerate mutase family protein 0.0015 0.0021 0.026
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0031 0.0106
Loa Loa (eye worm) hypothetical protein 0.0049 0.0162 0.0418
Schistosoma mansoni hypothetical protein 0.008 0.0292 0.0735
Echinococcus multilocularis pyruvate kinase 0.0017 0.0029 0.0008
Loa Loa (eye worm) hypothetical protein 0.0015 0.0021 0.0039
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0035 0.0155
Schistosoma mansoni DNA ligase IV 0.002 0.004 0.005
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.011 0.0415
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.011 0.0979
Schistosoma mansoni topbp1 0.002 0.004 0.005
Onchocerca volvulus 0.0037 0.011 0.028
Schistosoma mansoni patched 1 0.0083 0.0305 0.0769
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0056 0.0093
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.002 0.004 0.005
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0027 0.0063
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0105 0.0227
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.011 0.0242
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0081 0.0162
Chlamydia trachomatis DNA ligase 0.002 0.004 0.2415
Echinococcus granulosus pyruvate kinase 0.0017 0.0029 0.0022
Loa Loa (eye worm) hypothetical protein 0.0194 0.0766 0.205
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0097 0.7117
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0097 0.119
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0027 0.0063
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0056 0.0682
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0031 0.1277
Brugia malayi beta-lactamase 0.0037 0.011 0.1354
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0201 0.0795 0.9739
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.0088
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.011 0.0977
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.0088
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.0556 0.0535
Mycobacterium tuberculosis Conserved protein 0.0037 0.011 0.0979
Onchocerca volvulus Protein UBASH3A homolog 0.0015 0.0021 0.0039
Loa Loa (eye worm) hypothetical protein 0.0018 0.0031 0.0065
Entamoeba histolytica hypothetical protein 0.0035 0.0105 0.0389
Brugia malayi hypothetical protein 0.0012 0.0007 0.0085
Brugia malayi MH2 domain containing protein 0.0122 0.0464 0.5684
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0056 0.0377
Onchocerca volvulus 0.0049 0.0162 0.0418
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Brugia malayi Pax transcription activation domain interacting protein 0.002 0.004 0.0485
Brugia malayi Pre-SET motif family protein 0.003 0.0081 0.0992
Echinococcus multilocularis tumor protein p63 0.0335 0.1351 0.1333
Brugia malayi hypothetical protein 0.0012 0.0007 0.0085
Onchocerca volvulus 0.0015 0.0021 0.0039
Echinococcus granulosus replication factor c subunit 1 0.002 0.004 0.005
Mycobacterium ulcerans lipase LipD 0.0037 0.011 0.0415
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0081 0.0162
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0081 0.0162
Brugia malayi Patched related family protein 4 0.0012 0.0007 0.0085
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.0816 0.2185
Loa Loa (eye worm) phosphoglycerate mutase 0.0015 0.0021 0.0039
Echinococcus multilocularis replication factor c subunit 1 0.002 0.004 0.0018
Entamoeba histolytica hypothetical protein 0.002 0.004 0.0085
Trichomonas vaginalis conserved hypothetical protein 0.002 0.004 0.0201
Leishmania major pyruvate kinase 0.0033 0.0097 0.0206
Brugia malayi CHE-14 protein 0.0083 0.0305 0.3735
Trichomonas vaginalis conserved hypothetical protein 0.002 0.004 0.0201
Brugia malayi beta-lactamase family protein 0.0037 0.011 0.1354
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.011 0.0979
Onchocerca volvulus 0.0023 0.0056 0.0132
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0097 0.0244
Brugia malayi Niemann-Pick C1 protein precursor 0.0194 0.0766 0.939
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0886 0.3648 0.9828
Loa Loa (eye worm) hypothetical protein 0.003 0.0081 0.02
Echinococcus granulosus 6 phosphofructo 2 kinase:fructose 2 0.0901 0.3711 1
Mycobacterium ulcerans hypothetical protein 0.0532 0.2173 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0056 0.016
Toxoplasma gondii phosphoglycerate mutase family protein 0.0015 0.0021 0.1131
Loa Loa (eye worm) hypothetical protein 0.0018 0.0031 0.0065
Brugia malayi Patched family protein 0.0012 0.0007 0.0085
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.0464 0.1234
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.011 0.028
Schistosoma mansoni hypothetical protein 0.008 0.0292 0.0735
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0035 0.0066
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.002 0.004 0.0085
Giardia lamblia Pyruvate kinase 0.0033 0.0097 0.0316
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0194 0.0766 0.3463
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0097 0.0244
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0035 0.0038
Giardia lamblia Hypothetical protein 0.0532 0.2173 1
Schistosoma mansoni ap endonuclease 0.0019 0.0035 0.0038

Activities

Activity type Activity value Assay description Source Reference
Inhibition (ADMET) = 71.14320787 % Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415
Inhibition (ADMET) = 84.33412888 % Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415

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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