Detailed information for compound 574815

Basic information

Technical information
  • TDR Targets ID: 574815
  • Name: 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-eth yl]sulfanyl-2-ethyl-6,8-dimethyl-pyrimido[4,5 -d]pyrimidine-5,7-dione
  • MW: 425.504 | Formula: C21H23N5O3S
  • H donors: 0 H acceptors: 5 LogP: 2.58 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nc(SCC(=O)N2CCCc3c2cccc3)c2c(n1)n(C)c(=O)n(c2=O)C
  • InChi: 1S/C21H23N5O3S/c1-4-15-22-18-17(20(28)25(3)21(29)24(18)2)19(23-15)30-12-16(27)26-11-7-9-13-8-5-6-10-14(13)26/h5-6,8,10H,4,7,9,11-12H2,1-3H3
  • InChiKey: HHFOSVIQINECFE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-2-ethyl-6,8-dimethylpyrimido[4,5-d]pyrimidine-5,7-dione
  • 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-2-ethyl-6,8-dimethyl-pyrimido[4,5-d]pyrimidine-5,7-quinone
  • 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-2-ethyl-6,8-dimethylpyrimido[4,5-d]pyrimidine-5,7-dione
  • 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-2-ethyl-6,8-dimethylpyrimido[5,6-e]pyrimidine-5,7-dione
  • 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-2-ethyl-6,8-dimethyl-pyrimido[5,6-e]pyrimidine-5,7-dione
  • 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-2-ethyl-6,8-dimethylpyrimido[5,6-e]pyrimidine-5,7-dione
  • 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-2-ethyl-6,8-dimethyl-pyrimido[5,6-e]pyrimidine-5,7-quinone
  • MLS000102216
  • SMR000017955

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
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
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.0602 0.9963
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0312 0.3673
Trichomonas vaginalis esterase, putative 0.0043 0.0312 0.4438
Brugia malayi hypothetical protein 0.0014 0.0004 0.0013
Trichomonas vaginalis casein kinase II beta chain, putative 0.0072 0.0604 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0059 0.0178
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8489 1
Brugia malayi PAN domain containing protein 0.0033 0.0206 0.0738
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0079 0.1063
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0136 0.1444
Trichomonas vaginalis casein kinase II beta chain, putative 0.0072 0.0604 1
Echinococcus granulosus Mastin 0.0014 0.0004 0.0004
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0021 0.0079 0.0112
Brugia malayi beta-lactamase 0.0043 0.0312 0.1119
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0033 0.0206 0.0738
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0021 0.0079 0.1063
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0312 0.0367
Loa Loa (eye worm) hypothetical protein 0.0033 0.0206 0.0738
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2738 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0059 0.0059
Echinococcus multilocularis neuropeptide s receptor 0.056 0.5663 0.5663
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0079 0.0112
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0072 0.0604 1
Toxoplasma gondii hypothetical protein 0.0033 0.0206 0.0672
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0014 0.0004 0.0004
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0014 0.0004 0.0004
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0079 0.0284
Loa Loa (eye worm) hypothetical protein 0.0218 0.2119 0.7602
Loa Loa (eye worm) inositol-1 0.0045 0.0323 0.1161
Brugia malayi Csnk2b protein 0.0072 0.0604 0.2168
Brugia malayi PAN domain containing protein 0.0033 0.0206 0.0738
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.0602 0.9963
Loa Loa (eye worm) hypothetical protein 0.0053 0.0415 0.1489
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0125 0.1155 0.4145
Loa Loa (eye worm) hypothetical protein 0.0053 0.0415 0.1489
Loa Loa (eye worm) phosphatidylinositol-specific phospholipase C 0.0018 0.0049 0.0177
Onchocerca volvulus 0.0033 0.0206 0.0971
Brugia malayi AMP-binding enzyme family protein 0.0072 0.0602 0.216
Trichomonas vaginalis casein kinase II beta chain, putative 0.0072 0.0604 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0312 0.1119
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0021 0.0079 0.0079
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0021 0.0079 0.0715
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0312 0.0978
Trichomonas vaginalis casein kinase II beta chain, putative 0.0072 0.0604 1
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0021 0.0079 0.0009
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0059 0.0178
Echinococcus multilocularis tissue type plasminogen activator 0.0051 0.0394 0.0394
Echinococcus granulosus tissue type plasminogen activator 0.0051 0.0394 0.0464
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0004 0.0004
Trichomonas vaginalis casein kinase II beta chain, putative 0.0072 0.0604 1
Loa Loa (eye worm) PAN domain-containing protein 0.0033 0.0206 0.0738
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0059 0.0193
Plasmodium vivax acetyl-CoA synthetase, putative 0.0021 0.0079 0.0599
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0275 0.0841
Loa Loa (eye worm) PAN domain-containing protein 0.0033 0.0206 0.0738
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0004 0.0004
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0072 0.0602 0.8439
Loa Loa (eye worm) hypothetical protein 0.0021 0.0076 0.0272
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0004 0.0004
Trichomonas vaginalis casein kinase II beta chain, putative 0.0072 0.0604 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0136 0.1444
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0059 0.0193
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0036 0.0231 0.0231
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8489 1
Loa Loa (eye worm) oxidoreductase 0.0021 0.0079 0.0284
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0713 1
Plasmodium vivax casein kinase II beta chain, putative 0.0072 0.0604 0.8389
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0079 0.1063
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0136 0.1444
Schistosoma mansoni phospholipase C beta 0.0017 0.0039 0.0046
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0028 0.0155 0.1724
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0136 0.0444
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0713 1
Brugia malayi 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta 4 0.0017 0.0039 0.0139
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.0602 0.8439
Loa Loa (eye worm) hypothetical protein 0.0033 0.0206 0.0738
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0021 0.0079 0.1063
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0072 0.0602 0.216
Brugia malayi Latrophilin receptor protein 2 0.0036 0.0231 0.0827
Toxoplasma gondii PAN domain-containing protein 0.0309 0.3064 1
Echinococcus multilocularis transmembrane protease serine 3 0.0014 0.0004 0.0004
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.0713 1
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0021 0.0079 0.0112
Brugia malayi Trypsin family protein 0.0014 0.0004 0.0013
Loa Loa (eye worm) hypothetical protein 0.0072 0.0602 0.216
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0021 0.0079 0.0112
Trichomonas vaginalis casein kinase II beta chain, putative 0.0072 0.0604 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0323 0.4659
Plasmodium falciparum acyl-CoA synthetase 0.0053 0.0415 0.5581
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0072 0.0604 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0385 0.1249
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.0602 0.8439
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0014 0.0004 0.0004
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0021 0.0079 0.0112
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0014 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0014 0.0004 0.0013
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0014 0.0004 0.0004
Onchocerca volvulus 0.0018 0.0049 0.0233
Trichomonas vaginalis casein kinase II beta chain, putative 0.0072 0.0604 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0275 0.3093
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0036 0.0231 0.0272
Trichomonas vaginalis casein kinase II beta chain, putative 0.0072 0.0604 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0059 0.0178
Schistosoma mansoni hypothetical protein 0.0014 0.0004 0.0004
Echinococcus granulosus casein kinase ii subunit beta 0.0072 0.0604 0.0712
Trypanosoma cruzi hypothetical protein, conserved 0.0051 0.0394 0.6207
Loa Loa (eye worm) hypothetical protein 0.0014 0.0004 0.0013
Loa Loa (eye worm) hypothetical protein 0.0014 0.0004 0.0013
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0312 0.4438
Schistosoma mansoni hypothetical protein 0.0051 0.0394 0.0464
Mycobacterium ulcerans hypothetical protein 0.0043 0.0312 0.4345
Brugia malayi AMP-binding enzyme family protein 0.0072 0.0602 0.216
Onchocerca volvulus 0.0014 0.0004 0.0018
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8489 0.8489
Loa Loa (eye worm) hypothetical protein 0.0043 0.0312 0.1119
Schistosoma mansoni hypothetical protein 0.0036 0.0231 0.0272
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0021 0.0079 0.0284
Brugia malayi beta-lactamase family protein 0.0043 0.0312 0.1119
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0323 0.4941
Loa Loa (eye worm) hypothetical protein 0.0017 0.0039 0.0139
Toxoplasma gondii PAN/Apple domain-containing protein 0.0033 0.0206 0.0672
Onchocerca volvulus 0.0033 0.0206 0.0971
Loa Loa (eye worm) hypothetical protein 0.0033 0.0206 0.0738
Loa Loa (eye worm) hypothetical protein 0.0051 0.0394 0.1413
Echinococcus multilocularis 1 phosphatidylinositol 4,5 bisphosphate 0.0018 0.0049 0.0049
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0054 0.042 0.1379
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0082 0.0713 1
Onchocerca volvulus 0.0033 0.0206 0.0971
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0385 0.1249
Onchocerca volvulus 0.0033 0.0206 0.0971
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0136 0.1562
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0053 0.0415 0.1361
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0054 0.042 0.5373
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0021 0.0079 0.1063
Mycobacterium tuberculosis Conserved protein 0.0043 0.0312 0.0978
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0136 0.1562
Toxoplasma gondii propionate-CoA ligase 0.0021 0.0079 0.0258
Toxoplasma gondii hypothetical protein 0.0033 0.0206 0.0672
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0312 0.4345
Echinococcus multilocularis GPCR, family 2 0.0036 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0021 0.0079 0.0284
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0385 0.1249
Plasmodium falciparum cysteine repeat modular protein 1 0.0051 0.0394 0.5267
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0079 0.1063
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0713 1
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0079 0.0284
Toxoplasma gondii microneme protein MIC4 0.0033 0.0206 0.0672
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0155 0.1724
Loa Loa (eye worm) hypothetical protein 0.0077 0.0659 0.2363
Echinococcus granulosus tumor protein p63 0.0355 0.3539 0.4169
Plasmodium falciparum casein kinase II beta chain 0.0072 0.0604 0.8389
Loa Loa (eye worm) hypothetical protein 0.0033 0.0206 0.0738
Loa Loa (eye worm) hypothetical protein 0.0021 0.0079 0.0284
Brugia malayi Trypsin-like protease protein 5 0.0014 0.0004 0.0013
Brugia malayi PAN domain containing protein 0.0033 0.0206 0.0738
Loa Loa (eye worm) hypothetical protein 0.0053 0.0415 0.1489
Loa Loa (eye worm) hypothetical protein 0.0043 0.0312 0.1119
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0059 0.0213
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0312 0.4438
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0312 0.0978
Toxoplasma gondii microneme protein, putative 0.0033 0.0206 0.0672
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0059 0.0038
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0113 0.1028 0.3687
Onchocerca volvulus 0.0043 0.0312 0.1472
Toxoplasma gondii casein kinase ii regulatory subunit protein 0.0072 0.0604 0.1972
Schistosoma mansoni hypothetical protein 0.0036 0.0231 0.0272
Echinococcus granulosus glycoprotein Antigen 5 0.0014 0.0004 0.0004
Onchocerca volvulus 0.0033 0.0206 0.0971
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0312 0.4438
Schistosoma mansoni hypothetical protein 0.0036 0.0231 0.0272
Brugia malayi PAN domain containing protein 0.0033 0.0206 0.0738
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0021 0.0079 0.0536
Brugia malayi PAN domain containing protein 0.0033 0.0206 0.0738
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0323 0.4509
Brugia malayi AMP-binding enzyme family protein 0.0072 0.0602 0.216
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0021 0.0079 0.0599
Leishmania major protein kinase ck2 regulatory subunit, putative 0.0072 0.0604 1
Toxoplasma gondii subtilisin SUB12 0.0033 0.0206 0.0672
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0323 0.4659
Trypanosoma brucei Casein kinase II subunit beta, putative 0.0072 0.0604 1
Brugia malayi latrophilin 2 splice variant baaae 0.0077 0.0659 0.2363
Loa Loa (eye worm) hypothetical protein 0.0014 0.0004 0.0013
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0312 0.4731
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0014 0.0004 0.0004
Entamoeba histolytica acyl-coA synthetase, putative 0.0072 0.0602 0.996
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0072 0.0604 0.2852
Loa Loa (eye worm) hypothetical protein 0.0072 0.0602 0.216
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.2119 1
Echinococcus multilocularis tumor protein p63 0.0355 0.3539 0.3539
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0312 0.0978
Trichomonas vaginalis casein kinase II beta chain, putative 0.0072 0.0604 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0312 0.1119
Brugia malayi Trypsin family protein 0.0014 0.0004 0.0013
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0021 0.0079 0.0536
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0082 0.0713 0.0713
Echinococcus multilocularis peptidase Clp (S14 family) 0.0054 0.042 0.042
Brugia malayi Calcitonin receptor-like protein seb-1 0.0113 0.1028 0.3687
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0018 0.0049 0.0177
Brugia malayi hypothetical protein 0.0017 0.0039 0.0139
Onchocerca volvulus 0.0018 0.0049 0.0233
Loa Loa (eye worm) TK/ROR protein kinase 0.0051 0.0394 0.1413
Schistosoma mansoni hypothetical protein 0.0077 0.0659 0.0776
Schistosoma mansoni hypothetical protein 0.0036 0.0231 0.0272
Onchocerca volvulus 0.0021 0.0079 0.0373
Brugia malayi PAN domain containing protein 0.0033 0.0206 0.0738
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0079 0.0112
Loa Loa (eye worm) hypothetical protein 0.0043 0.0312 0.1119
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0079 0.1063
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0051 0.0394 0.5267
Brugia malayi beta-lactamase family protein 0.0043 0.0312 0.1119
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0312 0.0312
Giardia lamblia Casein kinase II beta chain 0.0072 0.0604 1
Echinococcus multilocularis casein kinase ii subunit beta 0.0072 0.0604 0.0604
Brugia malayi Probable ClpP-like protease 0.0082 0.0713 0.2558
Loa Loa (eye worm) PAN domain-containing protein 0.0033 0.0206 0.0738
Loa Loa (eye worm) hypothetical protein 0.0053 0.0415 0.1489
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0021 0.0079 0.1063
Brugia malayi Protein kinase domain containing protein 0.0051 0.0394 0.1413
Loa Loa (eye worm) hypothetical protein 0.0113 0.1028 0.3687
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0072 0.0602 0.2058
Loa Loa (eye worm) hypothetical protein 0.0026 0.0136 0.0488
Loa Loa (eye worm) hypothetical protein 0.0014 0.0004 0.0013
Toxoplasma gondii kringle domain-containing protein 0.0051 0.0394 0.1285
Leishmania major hypothetical protein, conserved 0.0026 0.0136 0.1721
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0283 0.2787 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0082 0.0713 0.084
Trichomonas vaginalis casein kinase II beta chain, putative 0.0072 0.0604 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0079 0.1063
Entamoeba histolytica acyl-CoA synthetase, putative 0.0072 0.0602 0.996
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0059 0.0059
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0072 0.0602 0.8439
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0021 0.0079 0.0536
Onchocerca volvulus 0.0033 0.0206 0.0971
Loa Loa (eye worm) hypothetical protein 0.0052 0.04 0.1435
Trichomonas vaginalis casein kinase II beta chain, putative 0.0072 0.0604 1
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0021 0.0079 0.1063
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0323 0.4659
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0072 0.0604 1
Onchocerca volvulus 0.0033 0.0206 0.0971
Brugia malayi Trypsin family protein 0.0014 0.0004 0.0013
Leishmania major hypothetical protein, conserved 0.0043 0.0312 0.483
Entamoeba histolytica acyl-CoA synthetase, putative 0.0072 0.0602 0.996
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0072 0.0602 0.8439
Onchocerca volvulus 0.0021 0.0079 0.0373
Plasmodium falciparum casein kinase II beta chain 0.0072 0.0604 0.8389
Brugia malayi PAN domain containing protein 0.0033 0.0206 0.0738
Onchocerca volvulus 0.0021 0.0079 0.0373
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0079 0.1063
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.04 0.0471
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0021 0.0079 0.0536
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0004 0.0004
Onchocerca volvulus 0.0014 0.0004 0.0018
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0312 0.0367
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0059 0.0305
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0021 0.0079 0.0112
Onchocerca volvulus 0.0033 0.0206 0.0971
Brugia malayi PAN domain containing protein 0.0033 0.0206 0.0738
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0059 0.0213
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0312 0.4438
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0312 0.4052
Loa Loa (eye worm) beta-lactamase 0.0043 0.0312 0.1119
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0079 0.1063
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0312 0.4345
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0072 0.0604 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0014 0.0004 0.0004
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0021 0.0079 0.0284
Onchocerca volvulus 0.0033 0.0206 0.0971
Onchocerca volvulus 0.0014 0.0004 0.0018
Toxoplasma gondii PAN domain-containing protein 0.0033 0.0206 0.0672
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0004 0.0004
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0312 0.1119
Loa Loa (eye worm) hypothetical protein 0.0043 0.0312 0.1119
Toxoplasma gondii microneme protein MIC17B 0.0033 0.0206 0.0672
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0079 0.0112
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0054 0.042 0.1379
Toxoplasma gondii ABC1 family protein 0.0043 0.0312 0.1018
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0079 0.0284
Toxoplasma gondii microneme protein MIC17A 0.0033 0.0206 0.0672
Plasmodium vivax acyl-CoA synthetase, putative 0.0053 0.0415 0.5581
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0021 0.0079 0.0284
Echinococcus multilocularis glycoprotein Antigen 5 0.0014 0.0004 0.0004
Onchocerca volvulus 0.0051 0.0394 0.1858
Echinococcus granulosus neuropeptide s receptor 0.056 0.5663 0.6671
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0072 0.0602 0.2058
Brugia malayi Trypsin family protein 0.0014 0.0004 0.0013
Leishmania major acetyl-CoA synthetase, putative 0.0021 0.0079 0.0715
Trichomonas vaginalis antibiotic synthetase, putative 0.0021 0.0079 0.0009
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0312 0.4438
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0014 0.0004 0.0004
Toxoplasma gondii PAN domain-containing protein 0.0033 0.0206 0.0672
Onchocerca volvulus 0.0052 0.04 0.1888
Toxoplasma gondii PAN domain-containing protein 0.0033 0.0206 0.0672
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0312 0.0978
Loa Loa (eye worm) hypothetical protein 0.0033 0.0206 0.0738
Onchocerca volvulus 0.0014 0.0004 0.0018
Onchocerca volvulus 0.0043 0.0312 0.1472
Loa Loa (eye worm) hypothetical protein 0.0043 0.0312 0.1119
Loa Loa (eye worm) hypothetical protein 0.0018 0.0049 0.0177
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0014 0.0004 0.0004
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0082 0.0713 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.0323 0.0381
Brugia malayi follicle stimulating hormone receptor 0.0283 0.2787 1
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0021 0.0079 0.1063
Toxoplasma gondii PAN domain-containing protein 0.0033 0.0206 0.0672
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0021 0.0079 0.0112
Echinococcus multilocularis enteropeptidase 0.0014 0.0004 0.0004
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0036 0.0231 0.0272
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.0602 0.9963
Schistosoma mansoni casein kinase II beta subunit 0.0072 0.0604 0.0712
Schistosoma mansoni inositol monophosphatase 0.0045 0.0323 0.0381
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0072 0.0602 0.8253
Schistosoma mansoni hypothetical protein 0.0014 0.0004 0.0004
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0021 0.0079 0.0258
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0004 0.0004
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0004 0.0004
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0059 0.007
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0312 0.0978
Loa Loa (eye worm) hypothetical protein 0.0014 0.0004 0.0013
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0059 0.0363
Loa Loa (eye worm) trypsin family protein 0.0014 0.0004 0.0013
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.0713 0.2327
Mycobacterium tuberculosis Conserved protein 0.0043 0.0312 0.0978
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0312 0.0978
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0021 0.0079 0.0284
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0312 0.4731
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0017 0.0039 0.0139
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0004 0.0004
Leishmania major hypothetical protein, conserved 0.0051 0.0394 0.6279
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0014 0.0004 0.0004
Mycobacterium ulcerans lipase LipD 0.0043 0.0312 0.4345
Leishmania major acetyl-CoA synthetase, putative 0.0021 0.0079 0.0715
Mycobacterium ulcerans beta-lactamase 0.0043 0.0312 0.4345
Trichomonas vaginalis casein kinase II beta chain, putative 0.0072 0.0604 1
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0021 0.0079 0.0258
Echinococcus granulosus transmembrane protease serine 3 0.0014 0.0004 0.0004
Loa Loa (eye worm) PAN domain-containing protein 0.0033 0.0206 0.0738
Echinococcus multilocularis neuropeptide receptor A26 0.056 0.5663 0.5663
Echinococcus granulosus 1-Phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta-4 0.0018 0.0049 0.0058
Echinococcus granulosus neuropeptide receptor A26 0.056 0.5663 0.6671
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.0079 0.1063
Loa Loa (eye worm) PAN domain-containing protein 0.0033 0.0206 0.0738
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0059 0.0059
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0385 0.1249
Brugia malayi Kringle domain containing protein 0.0051 0.0394 0.1413
Brugia malayi isocitrate dehydrogenase 0.0019 0.0059 0.0213
Schistosoma mansoni acetyl-CoA synthetase 0.0021 0.0079 0.0093
Toxoplasma gondii PAN domain-containing protein 0.0309 0.3064 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0014 0.0004 0.0013
Brugia malayi hypothetical protein 0.0026 0.0136 0.0488
Brugia malayi Inositol-1 0.0045 0.0323 0.1161
Trichomonas vaginalis casein kinase II beta chain, putative 0.0072 0.0604 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0059 0.0305
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0079 0.0112
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0053 0.0415 0.5799
Echinococcus granulosus enteropeptidase 0.0014 0.0004 0.0004
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0004 0.0004
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.0713 1
Echinococcus granulosus GPCR family 2 0.0036 0.0231 0.0272
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0082 0.0713 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0323 0.4941
Onchocerca volvulus 0.0043 0.0312 0.1472
Loa Loa (eye worm) Csnk2b protein 0.0072 0.0604 0.2168
Loa Loa (eye worm) hypothetical protein 0.0036 0.0231 0.0827
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.042 0.0494
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0113 0.1028 0.3687
Loa Loa (eye worm) hypothetical protein 0.0053 0.0415 0.1489
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0021 0.0079 0.1063
Mycobacterium ulcerans acetyl-CoA synthetase 0.0021 0.0079 0.1063
Trichomonas vaginalis casein kinase II beta chain, putative 0.0072 0.0604 1
Brugia malayi Variant SH3 domain containing protein 0.0125 0.1155 0.4145
Loa Loa (eye worm) Plcb4 protein 0.0017 0.0039 0.0139
Onchocerca volvulus 0.0033 0.0206 0.0971
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0059 0.0059
Plasmodium vivax casein kinase II beta chain, putative 0.0072 0.0604 0.8389
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0021 0.0079 0.0536
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0014 0.0004 0.0013
Loa Loa (eye worm) casein kinase II 0.0021 0.0079 0.0282
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.0713 0.2327
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0021 0.0079 0.0536
Brugia malayi casein kinase II, putaitve 0.0021 0.0079 0.0282
Onchocerca volvulus 0.0014 0.0004 0.0018
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0021 0.0079 0.0093
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0312 0.0978
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0312 0.4731
Trichomonas vaginalis antibiotic synthetase, putative 0.0021 0.0079 0.0009
Brugia malayi PAN domain containing protein 0.0033 0.0206 0.0738
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0059 0.007
Brugia malayi N-terminal motif family protein 0.0218 0.2119 0.7602
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0312 0.0367
Onchocerca volvulus 0.0033 0.0206 0.0971
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.0231 0.0827
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0072 0.0604 1
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0323 0.0381
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0323 0.0323
Onchocerca volvulus 0.0014 0.0004 0.0018
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0072 0.0604 0.2852
Onchocerca volvulus 0.0021 0.0079 0.0373
Schistosoma mansoni peptidase Clp (S14 family) 0.0082 0.0713 0.084
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0021 0.0079 0.1063
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0072 0.0602 0.8439
Loa Loa (eye worm) hypothetical protein 0.0082 0.0713 0.2558
Brugia malayi PAN domain containing protein 0.0033 0.0206 0.0738
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0136 0.1562
Echinococcus multilocularis Mastin 0.0014 0.0004 0.0004
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0014 0.0004 0.0004
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0072 0.0602 0.8253
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0028 0.0155 0.1197
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0323 0.1056
Toxoplasma gondii ck2 beta subunit 0.0072 0.0604 0.1972
Leishmania major phospholipase c-like protein 0.0018 0.0049 0.0188
Toxoplasma gondii microneme protein MIC17C 0.0033 0.0206 0.0672
Mycobacterium ulcerans hypothetical protein 0.0072 0.0602 0.8439
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0079 0.0284
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0323 0.5036
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0713 1
Toxoplasma gondii phosphoinositide phospholipase PIPLC 0.0018 0.0049 0.0161
Mycobacterium tuberculosis Conserved protein 0.0043 0.0312 0.0978
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0036 0.0231 0.0231
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0014 0.0004 0.0004
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0323 0.4659
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.0602 0.8439
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0323 0.4941
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0033 0.0206 0.0672
Loa Loa (eye worm) hypothetical protein 0.0033 0.0206 0.0738
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0059 0.0178
Onchocerca volvulus 0.0072 0.0602 0.2842
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0021 0.0079 0.0112
Mycobacterium leprae Probable lipase LipE 0.0043 0.0312 0.3673
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.0231 0.0827
Toxoplasma gondii hypothetical protein 0.0028 0.0155 0.0506

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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