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

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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