Detailed information for compound 29103

Basic information

Technical information
  • TDR Targets ID: 29103
  • Name: 5-(naphthalen-2-ylsulfanylmethyl)furo[2,3-d]p yrimidine-2,4-diamine
  • MW: 322.384 | Formula: C17H14N4OS
  • H donors: 2 H acceptors: 2 LogP: 3.5 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(N)c2c(n1)occ2CSc1ccc2c(c1)cccc2
  • InChi: 1S/C17H14N4OS/c18-15-14-12(8-22-16(14)21-17(19)20-15)9-23-13-6-5-10-3-1-2-4-11(10)7-13/h1-8H,9H2,(H4,18,19,20,21)
  • InChiKey: YGXJSXPQWMYNEJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(2-naphthylsulfanylmethyl)furo[2,3-d]pyrimidine-2,4-diamine
  • 5-[(2-naphthalenylthio)methyl]furo[2,3-d]pyrimidine-2,4-diamine
  • [2-amino-5-[(2-naphthylthio)methyl]furo[2,3-d]pyrimidin-4-yl]amine
  • 5-(naphthalen-2-ylsulfanylmethyl)furo[3,2-e]pyrimidine-2,4-diamine
  • 5-(2-naphthylsulfanylmethyl)furo[3,2-e]pyrimidine-2,4-diamine
  • 5-[(2-naphthylthio)methyl]furo[3,2-e]pyrimidine-2,4-diamine
  • [2-amino-5-[(2-naphthylthio)methyl]furo[3,2-e]pyrimidin-4-yl]amine
  • 5-(Naphthalen-2-ylsulfanylmethyl)-furo[2,3-d]pyrimidine-2,4-diamine
  • AIDS-093404
  • AIDS093404

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Starlite/ChEMBL References
Rattus norvegicus Dihydrofolate reductase Starlite/ChEMBL References
Pneumocystis carinii Dihydrofolate reductase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium ulcerans dihydrofolate reductase DfrA Get druggable targets OG5_128410 All targets in OG5_128410
Chlamydia trachomatis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Leishmania donovani dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania major dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma mansoni dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Neospora caninum Bifunctional dihydrofolate reductase-thymidylate synthase, related Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Cryptosporidium parvum dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium knowlesi bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania braziliensis dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium berghei bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus granulosus thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus multilocularis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Echinococcus granulosus dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Echinococcus multilocularis thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium ulcerans thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Brugia malayi Dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans hypothetical protein Get druggable targets OG5_128410 All targets in OG5_128410
Brugia malayi dihydrofolate reductase family protein Get druggable targets OG5_128410 All targets in OG5_128410
Schistosoma japonicum ko:K00560 thymidylate synthase [EC2.1.1.45], putative Get druggable targets OG5_127385 All targets in OG5_127385
Babesia bovis dihydrofolate reductase/thymidilate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Onchocerca volvulus Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Brugia malayi thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127385 All targets in OG5_127385
Theileria parva dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) Get druggable targets OG5_128410 All targets in OG5_128410
Loa Loa (eye worm) dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Leishmania mexicana dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium yoelii thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma brucei gambiense dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) Get druggable targets OG5_127385 All targets in OG5_127385
Loa Loa (eye worm) thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Cryptosporidium hominis chain A, crystal structure of Dhfr Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania infantum dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative Get druggable targets OG5_128410 All targets in OG5_128410
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium knowlesi bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 209 aa 29.2 %
Cryptosporidium hominis chain A, crystal structure of Dhfr Dihydrofolate reductase   187 aa 182 aa 34.1 %
Leishmania mexicana dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 33.7 %
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   206 aa 193 aa 29.5 %
Leishmania donovani dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Plasmodium berghei bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 211 aa 28.4 %
Leishmania infantum dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 186 aa 37.1 %
Babesia bovis dihydrofolate reductase/thymidilate synthase Dihydrofolate reductase   187 aa 191 aa 31.9 %
Theileria parva dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 193 aa 32.1 %
Cryptosporidium parvum dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 182 aa 33.5 %
Neospora caninum Bifunctional dihydrofolate reductase-thymidylate synthase, related Dihydrofolate reductase   187 aa 187 aa 35.8 %
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 209 aa 29.2 %
Trypanosoma brucei gambiense dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 210 aa 30.0 %
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 202 aa 29.2 %
Leishmania major dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 210 aa 30.0 %
Leishmania braziliensis dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 34.3 %
Plasmodium yoelii thymidylate synthase, putative Dihydrofolate reductase   187 aa 212 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.01 0.0008 0.0114
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.01 0.0008 0.0114
Trypanosoma cruzi Peptide deformylase 2, putative 0.2479 0.3725 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.01 0.0008 0.0098
Schistosoma mansoni amine GPCR 0.01 0.0008 0.0114
Brugia malayi Hemopexin family protein 0.0242 0.0231 0.0763
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.01 0.0008 0.0098
Schistosoma mansoni adenoreceptor 0.01 0.0008 0.0114
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0245 0.0235 0.2854
Echinococcus multilocularis G protein coupled receptor 139 0.01 0.0008 0.0098
Echinococcus multilocularis neuropeptide Y receptor 0.01 0.0008 0.0098
Loa Loa (eye worm) neuropeptide F receptor 0.01 0.0008 0.0071
Echinococcus granulosus neuropeptide receptor 0.01 0.0008 0.0098
Schistosoma mansoni neuropeptide F-like receptor 0.01 0.0008 0.0114
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Echinococcus granulosus G protein coupled receptor 139 0.01 0.0008 0.0098
Echinococcus granulosus neuropeptide receptor A26 0.01 0.0008 0.0098
Echinococcus multilocularis neuropeptide receptor 0.01 0.0008 0.0098
Trypanosoma brucei Peptide deformylase 2 0.2479 0.3725 1
Echinococcus granulosus tm gpcr rhodopsin 0.01 0.0008 0.0098
Loa Loa (eye worm) hypothetical protein 0.0171 0.012 0.1055
Echinococcus granulosus sex peptide receptor 0.01 0.0008 0.0098
Schistosoma mansoni amine GPCR 0.01 0.0008 0.0114
Schistosoma mansoni neuropeptide f receptor 76f 0.01 0.0008 0.0114
Schistosoma mansoni rhodopsin-like orphan GPCR 0.01 0.0008 0.0114
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.01 0.0008 0.0114
Brugia malayi Serotonin receptor 0.01 0.0008 0.0027
Loa Loa (eye worm) melatonin receptor type 1A 0.01 0.0008 0.0071
Echinococcus granulosus neuropeptide s receptor 0.01 0.0008 0.0098
Leishmania major polypeptide deformylase-like protein, putative 0.2479 0.3725 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.01 0.0008 0.0114
Schistosoma mansoni biogenic amine receptor 0.01 0.0008 0.0114
Echinococcus granulosus rhodopsin orphan GPCR 0.01 0.0008 0.0098
Brugia malayi Matrixin family protein 0.0171 0.012 0.0395
Loa Loa (eye worm) matrixin family protein 0.0413 0.0498 0.4395
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Echinococcus multilocularis dihydrofolate reductase 0.0547 0.0708 0.8598
Echinococcus granulosus g protein coupled receptor 0.01 0.0008 0.0098
Trypanosoma cruzi Peptide deformylase 2, putative 0.2479 0.3725 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Loa Loa (eye worm) G-protein coupled receptor 0.01 0.0008 0.0071
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0184 0.014 0.1705
Echinococcus multilocularis serotonin receptor 0.01 0.0008 0.0098
Echinococcus granulosus adam 17 protease 0.0429 0.0523 0.635
Schistosoma mansoni myosin xvIII 0.01 0.0008 0.0114
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.01 0.0008 0.0071
Onchocerca volvulus Matrilysin homolog 0.0171 0.012 0.2553
Echinococcus multilocularis thymidylate synthase 0.013 0.0055 0.0671
Echinococcus granulosus rhodopsin orphan GPCR 0.01 0.0008 0.0098
Echinococcus multilocularis allatostatin A receptor 0.01 0.0008 0.0098
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.01 0.0008 0.0098
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Loa Loa (eye worm) neuropeptide F receptor 0.01 0.0008 0.0071
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.01 0.0008 0.0098
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.01 0.0008 0.0027
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.01 0.0008 0.0098
Echinococcus multilocularis fmrfamide receptor 0.01 0.0008 0.0098
Echinococcus granulosus g protein coupled receptor 0.01 0.0008 0.0098
Echinococcus multilocularis dro:myosuppressin receptor 0.01 0.0008 0.0098
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.01 0.0008 0.0114
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Echinococcus multilocularis rhodopsin orphan GPCR 0.01 0.0008 0.0098
Brugia malayi ORL1-like opioid receptor 0.01 0.0008 0.0027
Echinococcus granulosus rhodopsin orphan GPCR 0.01 0.0008 0.0098
Brugia malayi hypothetical protein 0.01 0.0008 0.0027
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Schistosoma mansoni alpha-1 adrenergic receptor 0.01 0.0008 0.0114
Schistosoma mansoni hypothetical protein 0.01 0.0008 0.0114
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0184 0.014 0.1705
Echinococcus granulosus neuropeptides capa receptor 0.01 0.0008 0.0098
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Brugia malayi Dopamine receptor 0.01 0.0008 0.0027
Echinococcus multilocularis g protein coupled receptor 0.01 0.0008 0.0098
Brugia malayi thymidylate synthase 0.013 0.0055 0.0183
Brugia malayi hypothetical protein 0.01 0.0008 0.0027
Echinococcus multilocularis rhodopsin orphan GPCR 0.01 0.0008 0.0098
Echinococcus multilocularis rhodopsin orphan GPCR 0.01 0.0008 0.0098
Schistosoma mansoni neuropeptide receptor 0.01 0.0008 0.0114
Schistosoma mansoni rhodopsin-like orphan GPCR 0.01 0.0008 0.0114
Schistosoma mansoni hypothetical protein 0.01 0.0008 0.0114
Loa Loa (eye worm) G-protein coupled receptor 0.01 0.0008 0.0071
Plasmodium falciparum peptide deformylase 0.6496 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.01 0.0008 0.0098
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0547 0.0708 0.0708
Echinococcus granulosus tm gpcr rhodopsin 0.01 0.0008 0.0098
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.01 0.0008 0.0027
Schistosoma mansoni biogenic amine (dopamine) receptor 0.01 0.0008 0.0114
Brugia malayi GnHR receptor homolog 0.01 0.0008 0.0027
Onchocerca volvulus 0.013 0.0055 0.1082
Brugia malayi Dihydrofolate reductase 0.0547 0.0708 0.2337
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0208 0.0178 0.0587
Mycobacterium leprae PROBABLE HYDROLASE 0.0208 0.0178 0.0178
Echinococcus granulosus 7TM GPCR rhodopsin 0.01 0.0008 0.0098
Schistosoma mansoni neuropeptide receptor 0.01 0.0008 0.0114
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Echinococcus granulosus 7tm_1 domain containing protein 0.01 0.0008 0.0098
Brugia malayi Dopamine receptor protein 1 0.01 0.0008 0.0027
Echinococcus multilocularis serotonin receptor 0.01 0.0008 0.0098
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.01 0.0008 0.0098
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.01 0.0008 0.0114
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Echinococcus multilocularis neuropeptide s receptor 0.01 0.0008 0.0098
Brugia malayi hypothetical protein 0.01 0.0008 0.0027
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.013 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Brugia malayi neuropeptide F receptor 0.01 0.0008 0.0027
Echinococcus multilocularis neuropeptides capa receptor 0.01 0.0008 0.0098
Brugia malayi G protein-coupled receptor 0.01 0.0008 0.0027
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.01 0.0008 0.0114
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.01 0.0008 0.0098
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.01 0.0008 0.0114
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.01 0.0008 0.0114
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.01 0.0008 0.0098
Brugia malayi G-protein coupled receptor 0.01 0.0008 0.0027
Brugia malayi AKH receptor 0.01 0.0008 0.0027
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.01 0.0008 0.0098
Schistosoma mansoni biogenic amine (5HT) receptor 0.01 0.0008 0.0114
Schistosoma mansoni rhodopsin-like orphan GPCR 0.01 0.0008 0.0114
Loa Loa (eye worm) follicle stimulating hormone receptor 0.01 0.0008 0.0071
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.01 0.0008 0.0098
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.01 0.0008 0.0098
Brugia malayi Matrixin family protein 0.0171 0.012 0.0395
Echinococcus granulosus tachykinin peptides receptor 99D 0.01 0.0008 0.0098
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0132 0.0058 0.0825
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Schistosoma mansoni rhodopsin-like orphan GPCR 0.01 0.0008 0.0114
Brugia malayi larval opioid receptor 0.01 0.0008 0.0027
Trypanosoma brucei Polypeptide deformylase 1 0.2479 0.3725 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.01 0.0008 0.0114
Echinococcus multilocularis orexin receptor type 2 0.01 0.0008 0.0098
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0621 0.0823 1
Brugia malayi dihydrofolate reductase family protein 0.0547 0.0708 0.2337
Echinococcus granulosus neuropeptide FF receptor 2 0.01 0.0008 0.0098
Echinococcus multilocularis neuropeptide receptor A26 0.01 0.0008 0.0098
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0184 0.014 0.0463
Schistosoma mansoni biogenic amine receptor 0.01 0.0008 0.0114
Brugia malayi putative neuropeptide receptor 0.01 0.0008 0.0027
Schistosoma mansoni growth hormone secretagogue receptor 0.01 0.0008 0.0114
Echinococcus granulosus dihydrofolate reductase 0.0547 0.0708 0.8598
Brugia malayi putative neuropeptide receptor NPR1 0.01 0.0008 0.0027
Echinococcus multilocularis neuropeptide receptor 0.01 0.0008 0.0098
Echinococcus multilocularis rhodopsin orphan GPCR 0.01 0.0008 0.0098
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0184 0.014 0.1983
Brugia malayi hypothetical protein 0.01 0.0008 0.0027
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Echinococcus granulosus rhodopsin orphan GPCR 0.01 0.0008 0.0098
Brugia malayi hypothetical protein 0.01 0.0008 0.0027
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.01 0.0008 0.0098
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0547 0.0708 0.0708
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.01 0.0008 0.0071
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Brugia malayi RE15519p 0.01 0.0008 0.0027
Loa Loa (eye worm) hypothetical protein 0.0171 0.012 0.1055
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.01 0.0008 0.0114
Echinococcus multilocularis G-protein coupled receptor, putative 0.01 0.0008 0.0098
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Echinococcus granulosus neuropeptides capa receptor 0.01 0.0008 0.0098
Schistosoma mansoni histamine h1 receptor 0.01 0.0008 0.0114
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Schistosoma mansoni hypothetical protein 0.01 0.0008 0.0114
Echinococcus multilocularis biogenic amine (5HT) receptor 0.01 0.0008 0.0098
Schistosoma mansoni biogenic amine (dopamine) receptor 0.01 0.0008 0.0114
Brugia malayi sulfakinin receptor protein 0.01 0.0008 0.0027
Echinococcus granulosus rhodopsin orphan GPCR 0.01 0.0008 0.0098
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Echinococcus granulosus biogenic amine 5HT receptor 0.01 0.0008 0.0098
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Brugia malayi Melatonin receptor type 1A 0.01 0.0008 0.0027
Echinococcus multilocularis g protein coupled receptor 0.01 0.0008 0.0098
Echinococcus multilocularis neuropeptide Y receptor 0.01 0.0008 0.0098
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.2479 0.3725 1
Schistosoma mansoni amine GPCR 0.01 0.0008 0.0114
Schistosoma mansoni amine GPCR 0.01 0.0008 0.0114
Echinococcus multilocularis neuropeptides capa receptor 0.01 0.0008 0.0098
Echinococcus multilocularis rhodopsin orphan GPCR 0.01 0.0008 0.0098
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.013 0.0055 0.0055
Echinococcus multilocularis rhodopsin orphan GPCR 0.01 0.0008 0.0098
Schistosoma mansoni opsin-like receptor 0.01 0.0008 0.0114
Echinococcus granulosus tm gpcr rhodopsin 0.01 0.0008 0.0098
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Loa Loa (eye worm) matrixin family protein 0.0379 0.0445 0.3924
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.01 0.0008 0.0071
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Schistosoma mansoni amine GPCR 0.01 0.0008 0.0114
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.01 0.0008 0.0071
Onchocerca volvulus 0.0242 0.0231 0.5108
Echinococcus granulosus thyrotropin releasing hormone receptor 0.01 0.0008 0.0098
Schistosoma mansoni rhodopsin-like orphan GPCR 0.01 0.0008 0.0114
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Echinococcus granulosus hypothetical protein 0.01 0.0008 0.0098
Echinococcus multilocularis tachykinin peptides receptor 99D 0.01 0.0008 0.0098
Schistosoma mansoni peptide (allatostatin)-like receptor 0.01 0.0008 0.0114
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.039 0.0462 0.6527
Brugia malayi gonadotropin-releasing hormone receptor 2 0.01 0.0008 0.0027
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0171 0.012 0.1689
Echinococcus granulosus thymidylate synthase 0.013 0.0055 0.0671
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.6496 1 0.5
Brugia malayi follicle stimulating hormone receptor 0.01 0.0008 0.0027
Schistosoma mansoni biogenic amine receptor 0.01 0.0008 0.0114
Loa Loa (eye worm) hypothetical protein 0.082 0.1133 1
Brugia malayi G-protein coupled receptor 0.01 0.0008 0.0027
Schistosoma mansoni neuropeptide receptor 0.01 0.0008 0.0114
Loa Loa (eye worm) matrix metalloproteinase 0.0171 0.012 0.1055
Brugia malayi hypothetical protein 0.01 0.0008 0.0027
Echinococcus multilocularis rhodopsin orphan GPCR 0.01 0.0008 0.0098
Loa Loa (eye worm) hypothetical protein 0.0171 0.012 0.1055
Brugia malayi Matrixin family protein 0.0171 0.012 0.0395
Loa Loa (eye worm) thymidylate synthase 0.013 0.0055 0.0488
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.6496 1 1
Brugia malayi hypothetical protein 0.01 0.0008 0.0027
Schistosoma mansoni rhodopsin-like orphan GPCR 0.01 0.0008 0.0114
Echinococcus multilocularis sex peptide receptor 0.01 0.0008 0.0098
Echinococcus granulosus biogenic amine 5HT receptor 0.01 0.0008 0.0098
Onchocerca volvulus 0.0171 0.012 0.2553
Schistosoma mansoni biogenic amine (5HT) receptor 0.01 0.0008 0.0114
Echinococcus multilocularis g-protein coupled receptor 0.01 0.0008 0.0098
Brugia malayi neuropeptide F receptor 0.01 0.0008 0.0027
Schistosoma mansoni hypothetical protein 0.0242 0.0231 0.3265
Loa Loa (eye worm) dihydrofolate reductase 0.0547 0.0708 0.6246
Schistosoma mansoni biogenic amine (dopamine) receptor 0.01 0.0008 0.0114
Mycobacterium ulcerans thymidylate synthase 0.013 0.0055 0.0055
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0245 0.0235 0.2854
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.013 0.0055 0.0781
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.01 0.0008 0.0027
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0621 0.0823 1
Echinococcus granulosus neuropeptide receptor 0.01 0.0008 0.0098
Mycobacterium ulcerans hydrolase 0.0208 0.0178 0.0178
Echinococcus multilocularis fmrfamide receptor 0.01 0.0008 0.0098
Schistosoma mansoni rhodopsin-like orphan GPCR 0.01 0.0008 0.0114
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Brugia malayi Serotonin/octopamine receptor family protein 7 0.01 0.0008 0.0027
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0421 0.051 0.051
Loa Loa (eye worm) TYRA-2 protein 0.01 0.0008 0.0071
Schistosoma mansoni opsin-like receptor 0.01 0.0008 0.0114
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Echinococcus granulosus alpha 1A adrenergic receptor 0.01 0.0008 0.0098
Echinococcus multilocularis adam 17 protease 0.039 0.0462 0.5612
Brugia malayi G protein-coupled receptor F59B2.13 0.01 0.0008 0.0027
Echinococcus granulosus peptide allatostatin:somatostatin 0.01 0.0008 0.0098
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.2479 0.3725 1
Echinococcus granulosus orexin receptor type 2 0.01 0.0008 0.0098
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Echinococcus granulosus neuropeptide Y receptor 0.01 0.0008 0.0098
Echinococcus multilocularis neuropeptide FF receptor 2 0.01 0.0008 0.0098
Echinococcus granulosus rhodopsin orphan GPCR 0.01 0.0008 0.0098
Echinococcus granulosus g-protein coupled receptor 0.01 0.0008 0.0098
Echinococcus multilocularis somatostatin receptor 0.01 0.0008 0.0098
Brugia malayi Serotonin receptor 0.2033 0.3028 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.01 0.0008 0.0098
Brugia malayi Matrixin family protein 0.0171 0.012 0.0395
Plasmodium vivax peptide deformylase, putative 0.6496 1 1
Mycobacterium ulcerans peptide deformylase 0.6496 1 1
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.6496 1 1
Echinococcus granulosus serotonin receptor 0.01 0.0008 0.0098
Echinococcus granulosus g protein coupled receptor 0.01 0.0008 0.0098
Brugia malayi hypothetical protein 0.01 0.0008 0.0027
Brugia malayi Matrixin family protein 0.0413 0.0498 0.1645
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0208 0.0178 0.0178
Schistosoma mansoni dihydrofolate reductase 0.0547 0.0708 1
Onchocerca volvulus Matrilysin homolog 0.0379 0.0445 1
Treponema pallidum polypeptide deformylase (def) 0.6496 1 0.5
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Loa Loa (eye worm) hypothetical protein 0.0208 0.0178 0.1568
Onchocerca volvulus Matrix metalloproteinase homolog 0.0379 0.0445 1
Toxoplasma gondii hypothetical protein 0.6496 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.01 0.0008 0.0027
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0547 0.0708 0.0708
Echinococcus granulosus neuropeptide Y receptor 0.01 0.0008 0.0098
Brugia malayi hypothetical protein 0.01 0.0008 0.0027
Echinococcus multilocularis alpha 1A adrenergic receptor 0.01 0.0008 0.0098
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Loa Loa (eye worm) hypothetical protein 0.01 0.0008 0.0071
Echinococcus granulosus allatostatin A receptor 0.01 0.0008 0.0098
Schistosoma mansoni rhodopsin-like orphan GPCR 0.01 0.0008 0.0114
Echinococcus granulosus somatostatin receptor 0.01 0.0008 0.0098
Echinococcus granulosus rhodopsin orphan GPCR 0.01 0.0008 0.0098
Brugia malayi hypothetical protein 0.01 0.0008 0.0027
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.01 0.0008 0.0098
Schistosoma mansoni opsin-like receptor 0.01 0.0008 0.0114
Echinococcus multilocularis rhodopsin orphan GPCR 0.01 0.0008 0.0098
Echinococcus multilocularis g protein coupled receptor 0.01 0.0008 0.0098
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.01 0.0008 0.0098
Brugia malayi Dopamine receptor protein 2 0.01 0.0008 0.0027
Schistosoma mansoni neuropeptide F-like receptor 0.01 0.0008 0.0114
Echinococcus granulosus fmrfamide receptor 0.01 0.0008 0.0098
Schistosoma mansoni neuropeptide receptor 0.01 0.0008 0.0114
Echinococcus granulosus dro:myosuppressin receptor 0.01 0.0008 0.0098

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.49 Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 4.91 Inhibition of rat liver DHFR by spectrophotometric assay ChEMBL. 20117005
IC50 (binding) = 4.9101 Inhibition of rat liver dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 4.94 Inhibition of Toxoplasma gondii DHFR by spectrophotometric assay ChEMBL. 20117005
IC50 (binding) = 6.187 Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 0.65 uM Inhibitory activity against dihydrofolate reductase from pneumocystis carnii ChEMBL. 9548816
IC50 (binding) = 0.65 uM Inhibition of Dihydrofolate reductase from Pneumocystis carinii (P. carinii) ChEMBL. 15214795
IC50 (binding) = 0.65 uM Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 0.65 uM Inhibitory activity against dihydrofolate reductase from pneumocystis carnii ChEMBL. 9548816
IC50 (binding) = 0.65 uM Inhibition of Dihydrofolate reductase from Pneumocystis carinii (P. carinii) ChEMBL. 15214795
IC50 (binding) = 0.65 uM Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 11.6 uM Inhibitory activity against dihydrofolate reductase from Toxoplasma gondii ChEMBL. 9548816
IC50 (binding) = 11.6 uM Inhibitory concentration against Dihydrofolate reductase from Toxoplasma gondii (T. gondii) ChEMBL. 15214795
IC50 (binding) = 11.6 uM Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 11.6 uM Inhibitory activity against dihydrofolate reductase from Toxoplasma gondii ChEMBL. 9548816
IC50 (binding) = 11.6 uM Inhibitory concentration against Dihydrofolate reductase from Toxoplasma gondii (T. gondii) ChEMBL. 15214795
IC50 (binding) = 11.6 uM Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 11.6 uM Inhibition of Toxoplasma gondii DHFR by spectrophotometric assay ChEMBL. 20117005
IC50 (binding) = 12.3 uM Inhibitory activity against dihydrofolate reductase from rat liver ChEMBL. 9548816
IC50 (binding) = 12.3 uM Inhibitory concentration against Dihydrofolate reductase from rat liver ChEMBL. 15214795
IC50 (binding) = 12.3 uM Inhibition of rat liver dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 12.3 uM Inhibitory activity against dihydrofolate reductase from rat liver ChEMBL. 9548816
IC50 (binding) = 12.3 uM Inhibitory concentration against Dihydrofolate reductase from rat liver ChEMBL. 15214795
IC50 (binding) = 12.3 uM Inhibition of rat liver dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 12.3 uM Inhibition of rat liver DHFR by spectrophotometric assay ChEMBL. 20117005
Log IC50 (binding) = 4.4895 Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 15743188
Log IC50 (binding) = 4.9101 Inhibition of rat liver dihydrofolate reductase ChEMBL. 15743188
Log IC50 (binding) = 6.1871 Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 15743188
Selectivity ratio (binding) = 1.1 Selectivity ratio between the IC50 values of DHFR from rat liver and DHFR from Toxoplasma gondii ChEMBL. 9548816
Selectivity ratio (binding) = 1.1 Selectivity ratio (IC50rlDHFR)/(IC50 tgDHFR) ChEMBL. 15214795
Selectivity ratio (binding) = 18.9 Selectivity ratio between the IC50 values of DHFR from rat liver and DHFR from Pneumocystis carinii ChEMBL. 9548816
Selectivity ratio (binding) = 18.9 Selectivity ratio [(IC50 rlDHFR)/(IC50 pcDHFR) ChEMBL. 15214795

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

4 literature references were collected for this gene.

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