Detailed information for compound 1552693

Basic information

Technical information
  • TDR Targets ID: 1552693
  • Name: N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3 ,4-d]pyrazol-3-yl)-2-(2-methylphenoxy)acetami de
  • MW: 377.458 | Formula: C18H23N3O4S
  • H donors: 1 H acceptors: 4 LogP: 1.48 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C)COc1ccccc1C
  • InChi: 1S/C18H23N3O4S/c1-12-7-5-6-8-15(12)25-9-16(22)19-17-13-10-26(23,24)11-14(13)20-21(17)18(2,3)4/h5-8H,9-11H2,1-4H3,(H,19,22)
  • InChiKey: PUKOIHRYDDPGDL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-tert-butyl-5,5-diketo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl)-2-(2-methylphenoxy)acetamide
  • N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl)-2-(2-methylphenoxy)ethanamide
  • ZINC05077900

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni alpha-1 adrenergic receptor 0.0039 0.0619 0.0609
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0039 0.0619 0.0609
Onchocerca volvulus 0.0039 0.0619 0.1153
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0039 0.0619 0.0609
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.012 0.2174 0.2166
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0039 0.0619 0.0609
Echinococcus granulosus neuropeptide receptor 0.0039 0.0619 0.0609
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.0619 0.0609
Echinococcus granulosus g protein coupled receptor 0.0039 0.0619 0.0609
Mycobacterium leprae Probable lipase LipE 0.0035 0.0553 0.2564
Onchocerca volvulus Huntingtin homolog 0.012 0.2174 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0553 0.0543
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0039 0.0619 0.0609
Onchocerca volvulus 0.0039 0.0619 0.1153
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0039 0.0619 0.0609
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Echinococcus granulosus fmrfamide receptor 0.0039 0.0619 0.0609
Schistosoma mansoni cpg binding protein 0.0028 0.0416 0.0406
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0185 0.1966
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0039 0.0619 0.0609
Echinococcus multilocularis muscleblind protein 1 0.0146 0.2678 0.267
Echinococcus multilocularis neuropeptides capa receptor 0.0039 0.0619 0.0609
Loa Loa (eye worm) glutathione reductase 0.0046 0.0764 0.0754
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0553 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Schistosoma mansoni neuropeptide receptor 0.0039 0.0619 0.0609
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0039 0.0619 0.0609
Brugia malayi Dopamine receptor protein 1 0.0039 0.0619 0.0609
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0527 1 1
Schistosoma mansoni hypothetical protein 0.0039 0.0619 0.0609
Echinococcus granulosus peptide allatostatin:somatostatin 0.0039 0.0619 0.0609
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0039 0.0619 0.0609
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0185 0.0417
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0039 0.0619 0.0609
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0012 0.0001
Brugia malayi hypothetical protein 0.0039 0.0619 0.0609
Onchocerca volvulus 0.0039 0.0619 0.1153
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0039 0.0619 0.0609
Echinococcus multilocularis fmrfamide receptor 0.0039 0.0619 0.0609
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.2125 0.506
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Schistosoma mansoni opsin-like receptor 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0035 0.0553 0.0543
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Schistosoma mansoni amine GPCR 0.0039 0.0619 0.0609
Onchocerca volvulus 0.0039 0.0619 0.1153
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Schistosoma mansoni biogenic amine (5HT) receptor 0.0039 0.0619 0.0609
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.102 0.101
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.0619 0.0609
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0185 0.3218
Onchocerca volvulus 0.0039 0.0619 0.1153
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0185 0.2315
Brugia malayi neuropeptide F receptor 0.0039 0.0619 0.0609
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0045 0.0034
Schistosoma mansoni serine/threonine protein kinase 0.0527 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0553 0.0543
Echinococcus multilocularis dnaJ subfamily B 0.0399 0.7544 0.7541
Schistosoma mansoni amine GPCR 0.0039 0.0619 0.0609
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0039 0.0619 0.0609
Loa Loa (eye worm) neuropeptide F receptor 0.0039 0.0619 0.0609
Echinococcus multilocularis g-protein coupled receptor 0.0039 0.0619 0.0609
Brugia malayi larval opioid receptor 0.0039 0.0619 0.0609
Echinococcus multilocularis neuropeptide Y receptor 0.0039 0.0619 0.0609
Brugia malayi AKH receptor 0.0039 0.0619 0.0609
Brugia malayi hypothetical protein 0.012 0.2174 0.2166
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0012 0.0001
Plasmodium vivax glutathione reductase, putative 0.0046 0.0764 1
Onchocerca volvulus 0.0039 0.0619 0.1153
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.0619 0.0609
Brugia malayi Cytochrome P450 family protein 0.0026 0.0368 0.0358
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0764 1
Echinococcus multilocularis g protein coupled receptor 0.0039 0.0619 0.0609
Echinococcus granulosus hypothetical protein 0.0039 0.0619 0.0609
Echinococcus granulosus g protein coupled receptor 0.0039 0.0619 0.0609
Echinococcus granulosus orexin receptor type 2 0.0039 0.0619 0.0609
Echinococcus granulosus tm gpcr rhodopsin 0.0039 0.0619 0.0609
Loa Loa (eye worm) TYRA-2 protein 0.0039 0.0619 0.0609
Onchocerca volvulus 0.0039 0.0619 0.1153
Echinococcus granulosus dnaJ subfamily B 0.0399 0.7544 0.7541
Echinococcus multilocularis serotonin receptor 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0553 0.6349
Loa Loa (eye worm) neuropeptide F receptor 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Echinococcus multilocularis allatostatin A receptor 0.0039 0.0619 0.0609
Onchocerca volvulus 0.0039 0.0619 0.1153
Loa Loa (eye worm) melatonin receptor type 1A 0.0039 0.0619 0.0609
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0553 1
Onchocerca volvulus 0.0035 0.0553 0.0777
Mycobacterium tuberculosis Probable reductase 0.0105 0.19 0.452
Echinococcus granulosus neuropeptide FF receptor 2 0.0039 0.0619 0.0609
Echinococcus multilocularis sex peptide receptor 0.0039 0.0619 0.0609
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0185 0.3218
Brugia malayi G protein-coupled receptor F59B2.13 0.0039 0.0619 0.0609
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0039 0.0619 0.0609
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0039 0.0619 0.0609
Echinococcus granulosus neuropeptide Y receptor 0.0039 0.0619 0.0609
Schistosoma mansoni biogenic amine receptor 0.0039 0.0619 0.0609
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0764 0.0754
Echinococcus multilocularis somatostatin receptor 0.0039 0.0619 0.0609
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.2125 0.506
Schistosoma mansoni amine GPCR 0.0039 0.0619 0.0609
Echinococcus multilocularis neuropeptide Y receptor 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0035 0.0553 0.0543
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0764 0.0754
Echinococcus multilocularis g protein coupled receptor 0.0039 0.0619 0.0609
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0553 0.1297
Onchocerca volvulus 0.0035 0.0553 0.0777
Brugia malayi Dopamine receptor protein 2 0.0039 0.0619 0.0609
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0039 0.0619 0.0609
Onchocerca volvulus 0.0039 0.0619 0.1153
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0553 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0185 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0185 0.2315
Echinococcus granulosus dro:myosuppressin receptor 0.0039 0.0619 0.0609
Onchocerca volvulus Neuropeptide F receptor homolog 0.0039 0.0619 0.1153
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0185 0.2315
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0185 0.5
Brugia malayi hypothetical protein 0.0039 0.0619 0.0609
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0553 0.2564
Brugia malayi Melatonin receptor type 1A 0.0039 0.0619 0.0609
Schistosoma mansoni adenoreceptor 0.0039 0.0619 0.0609
Echinococcus granulosus neuropeptides capa receptor 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Brugia malayi hypothetical protein 0.0039 0.0619 0.0609
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.2125 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0185 0.2315
Onchocerca volvulus 0.0039 0.0619 0.1153
Mycobacterium ulcerans lipase LipD 0.0035 0.0553 1
Onchocerca volvulus 0.0039 0.0619 0.1153
Schistosoma mansoni hypothetical protein 0.0039 0.0619 0.0609
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0039 0.0619 0.0609
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.19 0.452
Echinococcus multilocularis g protein coupled receptor 0.0039 0.0619 0.0609
Schistosoma mansoni neuropeptide F-like receptor 0.0039 0.0619 0.0609
Echinococcus granulosus tm gpcr rhodopsin 0.0039 0.0619 0.0609
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.19 0.452
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Echinococcus granulosus geminin 0.0205 0.3808 0.3802
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0185 0.2315
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0104 0.0093
Brugia malayi putative neuropeptide receptor 0.0039 0.0619 0.0609
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0185 0.2315
Brugia malayi Serotonin receptor 0.0039 0.0619 0.0609
Brugia malayi hypothetical protein 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Brugia malayi hypothetical protein 0.0039 0.0619 0.0609
Onchocerca volvulus 0.0035 0.0553 0.0777
Schistosoma mansoni neuropeptide receptor 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Brugia malayi sulfakinin receptor protein 0.0039 0.0619 0.0609
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0185 0.0175
Echinococcus multilocularis geminin 0.0205 0.3808 0.3802
Echinococcus granulosus cpg binding protein 0.003 0.0447 0.0437
Schistosoma mansoni hypothetical protein 0.0039 0.0619 0.0609
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0553 0.0543
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0039 0.0619 0.0609
Echinococcus multilocularis neuropeptides capa receptor 0.0039 0.0619 0.0609
Echinococcus multilocularis fmrfamide receptor 0.0039 0.0619 0.0609
Echinococcus granulosus allatostatin A receptor 0.0039 0.0619 0.0609
Echinococcus granulosus sex peptide receptor 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0553 0.1297
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0039 0.0619 0.0609
Echinococcus multilocularis cpg binding protein 0.003 0.0447 0.0437
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.19 0.452
Schistosoma mansoni opsin-like receptor 0.0039 0.0619 0.0609
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.19 0.452
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0185 0.3349
Echinococcus granulosus biogenic amine 5HT receptor 0.0039 0.0619 0.0609
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0039 0.0619 0.0609
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0185 0.2315
Brugia malayi ORL1-like opioid receptor 0.0039 0.0619 0.0609
Schistosoma mansoni amine GPCR 0.0039 0.0619 0.0609
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.19 0.452
Mycobacterium tuberculosis Conserved protein 0.0035 0.0553 0.1297
Echinococcus multilocularis muscleblind protein 0.0146 0.2678 0.267
Mycobacterium ulcerans beta-lactamase 0.0035 0.0553 1
Leishmania major trypanothione reductase 0.0046 0.0764 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Echinococcus granulosus tm gpcr rhodopsin 0.0039 0.0619 0.0609
Echinococcus granulosus serotonin receptor 0.0039 0.0619 0.0609
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0039 0.0619 0.0609
Schistosoma mansoni growth hormone secretagogue receptor 0.0039 0.0619 0.0609
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0039 0.0619 0.0609
Brugia malayi Dopamine receptor 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0185 0.2315
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0553 0.0543
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.0619 0.0609
Echinococcus granulosus G protein coupled receptor 139 0.0039 0.0619 0.0609
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.0619 0.0609
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0185 0.0175
Echinococcus granulosus neuropeptide Y receptor 0.0039 0.0619 0.0609
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0185 0.5
Brugia malayi glutathione reductase 0.0046 0.0764 0.0754
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Brugia malayi RE15519p 0.0039 0.0619 0.0609
Trypanosoma brucei trypanothione reductase 0.0046 0.0764 1
Brugia malayi Serotonin receptor 0.0039 0.0619 0.0609
Brugia malayi putative neuropeptide receptor NPR1 0.0039 0.0619 0.0609
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0764 0.0754
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0039 0.0619 0.0609
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0039 0.0619 0.0609
Brugia malayi Tachykinin-like peptides receptor 99D 0.0039 0.0619 0.0609
Echinococcus granulosus neuropeptide receptor A26 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0012 0.0001
Brugia malayi neuropeptide F receptor 0.0039 0.0619 0.0609
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0764 0.1803
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0416 0.0406
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0039 0.0619 0.0609
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0185 0.0175
Leishmania major hypothetical protein, conserved 0.0035 0.0553 0.7194
Schistosoma mansoni neuropeptide receptor 0.0039 0.0619 0.0609
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.0619 0.0609
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0039 0.0619 0.0609
Brugia malayi G-protein coupled receptor 0.0039 0.0619 0.0609
Brugia malayi G protein-coupled receptor 0.0039 0.0619 0.0609
Schistosoma mansoni opsin-like receptor 0.0039 0.0619 0.0609
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0185 0.3349
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.0619 0.0609
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0185 0.3218
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.0619 0.0609
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.0619 0.0609
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.0619 0.0609
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0553 0.1297
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Echinococcus multilocularis dro:myosuppressin receptor 0.0039 0.0619 0.0609
Brugia malayi hypothetical protein 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0185 0.2315
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0527 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0039 0.0619 0.0609
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0039 0.0619 0.0609
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0039 0.0619 0.0609
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.0619 0.0609
Brugia malayi GnHR receptor homolog 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Echinococcus granulosus g-protein coupled receptor 0.0039 0.0619 0.0609
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.0619 0.0609
Mycobacterium ulcerans hypothetical protein 0.0035 0.0553 1
Brugia malayi Thioredoxin reductase 0.0046 0.0764 0.0754
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0185 0.2315
Schistosoma mansoni biogenic amine (5HT) receptor 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0185 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0039 0.0619 0.0609
Schistosoma mansoni amine GPCR 0.0039 0.0619 0.0609
Schistosoma mansoni cpg binding protein 0.003 0.0447 0.0437
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0185 0.2315
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.0619 0.0609
Echinococcus granulosus 7TM GPCR rhodopsin 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0185 0.2315
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0553 0.1297
Loa Loa (eye worm) G-protein coupled receptor 0.0039 0.0619 0.0609
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0553 0.7194
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.0619 0.0609
Schistosoma mansoni cpg binding protein 0.003 0.0447 0.0437
Brugia malayi hypothetical protein 0.0039 0.0619 0.0609
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0039 0.0619 0.0609
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0039 0.0619 0.1153
Echinococcus multilocularis neuropeptide s receptor 0.0039 0.0619 0.0609
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0012 0.0001
Loa Loa (eye worm) hypothetical protein 0.0146 0.2678 0.267
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Onchocerca volvulus 0.0039 0.0619 0.1153
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0012 0.0001
Schistosoma mansoni hypothetical protein 0.0399 0.7544 0.7541
Onchocerca volvulus 0.0039 0.0619 0.1153
Echinococcus granulosus rhodopsin orphan GPCR 0.0039 0.0619 0.0609
Onchocerca volvulus Huntingtin homolog 0.012 0.2174 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0185 0.2315
Onchocerca volvulus 0.0039 0.0619 0.1153
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.0619 0.0609
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0553 0.0543
Toxoplasma gondii ABC1 family protein 0.0035 0.0553 0.6111
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.2125 0.506
Toxoplasma gondii thioredoxin reductase 0.0046 0.0764 0.8495
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Mycobacterium tuberculosis Conserved protein 0.0035 0.0553 0.1297
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0042 0.0032
Brugia malayi beta-lactamase 0.0035 0.0553 0.0543
Onchocerca volvulus 0.0039 0.0619 0.1153
Echinococcus granulosus g protein coupled receptor 0.0039 0.0619 0.0609
Schistosoma mansoni hypothetical protein 0.0039 0.0619 0.0609
Brugia malayi beta-lactamase family protein 0.0035 0.0553 0.0543
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0039 0.0619 0.0609
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0553 1
Schistosoma mansoni biogenic amine receptor 0.0039 0.0619 0.0609
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0185 0.1966
Echinococcus granulosus 7tm_1 domain containing protein 0.0039 0.0619 0.0609
Treponema pallidum NADH oxidase 0.0016 0.0185 0.5
Loa Loa (eye worm) beta-lactamase 0.0035 0.0553 0.0543
Brugia malayi CXXC zinc finger family protein 0.0028 0.0416 0.0406
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0045 0.0034
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0039 0.0619 0.0609
Echinococcus granulosus neuropeptide receptor 0.0039 0.0619 0.0609
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0039 0.0619 0.0609
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.4189 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0104 0.0093
Schistosoma mansoni biogenic amine receptor 0.0039 0.0619 0.0609
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0039 0.0619 0.0609
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0039 0.0619 0.0609
Echinococcus multilocularis neuropeptide receptor 0.0039 0.0619 0.0609
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0039 0.0619 0.0609
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0553 0.0543
Onchocerca volvulus 0.0039 0.0619 0.1153
Schistosoma mansoni histamine h1 receptor 0.0039 0.0619 0.0609
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0527 1 1
Echinococcus granulosus neuropeptide s receptor 0.0039 0.0619 0.0609
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0185 0.2315
Echinococcus multilocularis G-protein coupled receptor, putative 0.0039 0.0619 0.0609
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Onchocerca volvulus 0.0039 0.0619 0.1153
Plasmodium falciparum thioredoxin reductase 0.0046 0.0764 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0553 0.1297
Brugia malayi hypothetical protein 0.0039 0.0619 0.0609
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0039 0.0619 0.0609
Schistosoma mansoni neuropeptide receptor 0.0039 0.0619 0.0609
Brugia malayi beta-lactamase family protein 0.0035 0.0553 0.0543
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0185 0.2315
Echinococcus multilocularis neuropeptide receptor A26 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Brugia malayi G-protein coupled receptor 0.0039 0.0619 0.0609
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.0619 0.0609
Schistosoma mansoni hypothetical protein 0.0205 0.3808 0.3802
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0553 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0039 0.0619 0.0609
Echinococcus granulosus somatostatin receptor 0.0039 0.0619 0.0609
Echinococcus multilocularis neuropeptide FF receptor 2 0.0039 0.0619 0.0609
Plasmodium falciparum glutathione reductase 0.0046 0.0764 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Echinococcus multilocularis neuropeptide receptor 0.0039 0.0619 0.0609
Echinococcus granulosus muscleblind protein 0.0146 0.2678 0.267
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0553 0.7194
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0553 0.7194
Mycobacterium tuberculosis Conserved protein 0.0035 0.0553 0.1297
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0185 0.2315
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0764 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0898 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0045 0.0034
Loa Loa (eye worm) hypothetical protein 0.012 0.2174 0.2166
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0553 0.1297
Brugia malayi follicle stimulating hormone receptor 0.0039 0.0619 0.0609
Schistosoma mansoni myosin xvIII 0.0039 0.0619 0.0609
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0553 1
Echinococcus multilocularis G protein coupled receptor 139 0.0039 0.0619 0.0609
Trichomonas vaginalis esterase, putative 0.0035 0.0553 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0619 0.0609
Loa Loa (eye worm) G-protein coupled receptor 0.0039 0.0619 0.0609
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0039 0.0619 0.0609
Brugia malayi Muscleblind-like protein 0.0146 0.2678 0.267
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0039 0.0619 0.0609
Echinococcus multilocularis rhodopsin orphan GPCR 0.0039 0.0619 0.0609
Echinococcus multilocularis orexin receptor type 2 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0035 0.0553 0.0543
Echinococcus multilocularis serotonin receptor 0.0039 0.0619 0.0609
Brugia malayi hypothetical protein 0.0039 0.0619 0.0609
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0185 0.0175
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0553 0.1297
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0553 0.0543
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0368 0.0358
Schistosoma mansoni neuropeptide F-like receptor 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0035 0.0553 0.0543
Schistosoma mansoni hypothetical protein 0.0205 0.3808 0.3802
Brugia malayi hypothetical protein 0.0039 0.0619 0.0609
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0553 0.0543
Echinococcus granulosus tachykinin peptides receptor 99D 0.0039 0.0619 0.0609
Echinococcus granulosus neuropeptides capa receptor 0.0039 0.0619 0.0609
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0039 0.0619 0.0609
Schistosoma mansoni neuropeptide f receptor 76f 0.0039 0.0619 0.0609
Loa Loa (eye worm) hypothetical protein 0.0146 0.2678 0.267
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0039 0.0619 0.0609
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0553 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.19 0.8933
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0185 0.2315

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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