Detailed information for compound 28160

Basic information

Technical information
  • TDR Targets ID: 28160
  • Name: 6-[(2,5-dimethoxyanilino)methyl]-5-methylpyri do[2,3-d]pyrimidine-2,4-diamine
  • MW: 340.38 | Formula: C17H20N6O2
  • H donors: 3 H acceptors: 3 LogP: 1.89 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NCc1cnc2c(c1C)c(N)nc(n2)N)OC
  • InChi: 1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-12-6-11(24-2)4-5-13(12)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
  • InChiKey: OOAXIFSPTMWLFE-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 6-[(2,5-dimethoxyanilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
  • 6-[[(2,5-dimethoxyphenyl)amino]methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
  • (2,4-diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-yl)methyl-(2,5-dimethoxyphenyl)amine
  • SoRI 8895
  • 6-[[(2,5-dimethoxyphenyl)amino]methyl]-5-methylpyrido[3,2-e]pyrimidine-2,4-diamine
  • 6-[[(2,5-dimethoxyphenyl)amino]methyl]-5-methyl-pyrido[3,2-e]pyrimidine-2,4-diamine
  • (2,4-diamino-5-methyl-pyrido[5,6-e]pyrimidin-6-yl)methyl-(2,5-dimethoxyphenyl)amine
  • 159210-76-1
  • 2,4-Diamino-5-methyl-6-[N(2,5-dimethoxyphenyl)methylamino]-pyrido[2
  • AIDS-008438
  • AIDS008438

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium avium Dihydrofolate reductase Starlite/ChEMBL References
Rattus norvegicus Dihydrofolate reductase Starlite/ChEMBL References
Pneumocystis carinii Dihydrofolate reductase Starlite/ChEMBL References
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) Curated by TDR Targets References
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) Curated by TDR Targets References
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Starlite/ChEMBL References
Homo sapiens dihydrofolate reductase Starlite/ChEMBL References
Lactobacillus casei Dihydrofolate reductase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei 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
Echinococcus multilocularis thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans 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
Candida albicans hypothetical protein Get druggable targets OG5_128410 All targets in OG5_128410
Chlamydia trachomatis dihydrofolate reductase 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
Trypanosoma brucei gambiense 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
Echinococcus granulosus dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Brugia malayi 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
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
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
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) Get druggable targets OG5_128410 All targets in OG5_128410
Cryptosporidium hominis chain A, crystal structure of Dhfr 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
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 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
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
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) 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 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
Echinococcus granulosus thymidylate synthase 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
Echinococcus multilocularis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Schistosoma mansoni dihydrofolate reductase 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
Schistosoma mansoni bifunctional dihydrofolate reductase-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
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) Get druggable targets OG5_128410 All targets in OG5_128410
Leishmania major 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
Plasmodium yoelii thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania donovani 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 falciparum bifunctional dihydrofolate reductase-thymidylate synthase 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
Onchocerca volvulus Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum hypothetical protein 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
Babesia bovis dihydrofolate reductase/thymidilate synthase Dihydrofolate reductase   187 aa 191 aa 31.9 %
Plasmodium knowlesi bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 209 aa 29.2 %
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 186 aa 37.1 %
Leishmania donovani dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 159 aa 140 aa 37.9 %
Plasmodium yoelii thymidylate synthase, putative Dihydrofolate reductase   187 aa 212 aa 27.8 %
Theileria parva dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 193 aa 32.1 %
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 209 aa 29.2 %
Leishmania mexicana dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 33.7 %
Onchocerca volvulus Putative dihydrofolate reductase Dihydrofolate reductase   163 aa 173 aa 27.2 %
Neospora caninum Bifunctional dihydrofolate reductase-thymidylate synthase, related Dihydrofolate reductase   187 aa 187 aa 35.8 %
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 202 aa 29.2 %
Trypanosoma brucei gambiense 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 %
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 165 aa 143 aa 34.3 %
Cryptosporidium parvum dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 182 aa 33.5 %
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase dihydrofolate reductase 187 aa 202 aa 29.7 %
Plasmodium berghei bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 211 aa 28.4 %
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 210 aa 30.0 %
Leishmania infantum dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Leishmania major dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   206 aa 193 aa 29.5 %
Cryptosporidium hominis chain A, crystal structure of Dhfr Dihydrofolate reductase   187 aa 182 aa 34.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0349 0.0281 0.1545
Schistosoma mansoni myosin xvIII 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Brugia malayi hypothetical protein 0.0349 0.0281 0.0236
Echinococcus multilocularis neuropeptide FF receptor 2 0.0349 0.0281 0.1793
Echinococcus granulosus glycine receptor subunit beta 0.0115 0.0046 0.0292
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0349 0.0281 0.1793
Echinococcus multilocularis neuropeptide Y receptor 0.0349 0.0281 0.1793
Brugia malayi RE15519p 0.0349 0.0281 0.0236
Onchocerca volvulus 0.0349 0.0281 0.1545
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0115 0.0046 0.0292
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Schistosoma mansoni histamine h1 receptor 0.0349 0.0281 0.1793
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0349 0.0281 0.1793
Onchocerca volvulus 0.0349 0.0281 0.1545
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.013 0.0061 0.039
Schistosoma mansoni neuropeptide receptor 0.0349 0.0281 0.1793
Echinococcus granulosus nAChR subunit 0.0115 0.0046 0.0292
Echinococcus multilocularis G-protein coupled receptor, putative 0.0349 0.0281 0.1793
Echinococcus multilocularis g protein coupled receptor 0.0349 0.0281 0.1793
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0115 0.0046 0.0292
Loa Loa (eye worm) hypothetical protein 0.1633 0.1567 1
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0349 0.0281 0.1793
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0349 0.0281 0.1793
Echinococcus multilocularis fmrfamide receptor 0.0349 0.0281 0.1793
Schistosoma mansoni sodium/chloride dependent transporter 0.0292 0.0224 0.1427
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0349 0.0281 0.1793
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0175 0.0106 0.5
Brugia malayi Serotonin receptor 0.0349 0.0281 0.0236
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Echinococcus granulosus alpha 1A adrenergic receptor 0.0349 0.0281 0.1793
Brugia malayi sulfakinin receptor protein 0.0349 0.0281 0.0236
Echinococcus granulosus neuropeptides capa receptor 0.0349 0.0281 0.1793
Onchocerca volvulus 0.0349 0.0281 0.1545
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Onchocerca volvulus 0.1633 0.1567 1
Echinococcus granulosus serotonin receptor 0.0349 0.0281 0.1793
Echinococcus granulosus dro:myosuppressin receptor 0.0349 0.0281 0.1793
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0349 0.0281 0.1793
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.1633 0.1567 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0349 0.0281 0.1793
Echinococcus granulosus serotonin transporter 0.0292 0.0224 0.1427
Onchocerca volvulus 0.0349 0.0281 0.1545
Brugia malayi Dihydrofolate reductase 0.1506 0.144 0.14
Onchocerca volvulus 0.0292 0.0224 0.1168
Loa Loa (eye worm) serotonin transporter b 0.0292 0.0224 0.1168
Schistosoma mansoni nAChR subunit 0.0115 0.0046 0.0292
Echinococcus granulosus neuropeptide receptor A26 0.0349 0.0281 0.1793
Loa Loa (eye worm) TYRA-2 protein 0.0349 0.0281 0.1545
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.1506 0.144 1
Brugia malayi Melatonin receptor type 1A 0.0349 0.0281 0.0236
Schistosoma mansoni nAChR subunit 0.0115 0.0046 0.0292
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0115 0.0046 0.0292
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0187 0.0118 0.0754
Brugia malayi hypothetical protein 0.0349 0.0281 0.0236
Schistosoma mansoni amine GPCR 0.0349 0.0281 0.1793
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0115 0.0046 0.0292
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0349 0.0281 0.1793
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0349 0.0281 0.1793
Echinococcus granulosus g protein coupled receptor 0.0349 0.0281 0.1793
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0349 0.0281 0.1793
Echinococcus multilocularis rhodopsin orphan GPCR 0.0349 0.0281 0.1793
Schistosoma mansoni neuropeptide F-like receptor 0.0349 0.0281 0.1793
Echinococcus granulosus G protein coupled receptor 139 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0115 0.0046 0.0292
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0187 0.0118 0.0073
Chlamydia trachomatis dihydrofolate reductase 0.1506 0.144 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0349 0.0281 0.0236
Schistosoma mansoni opsin-like receptor 0.0349 0.0281 0.1793
Loa Loa (eye worm) melatonin receptor type 1A 0.0349 0.0281 0.1545
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Onchocerca volvulus 0.1633 0.1567 1
Brugia malayi G-protein coupled receptor 0.0349 0.0281 0.0236
Echinococcus multilocularis neuropeptides capa receptor 0.0349 0.0281 0.1793
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0115 0.0046 0.0292
Onchocerca volvulus 0.0349 0.0281 0.1545
Brugia malayi putative neuropeptide receptor NPR1 0.0349 0.0281 0.0236
Loa Loa (eye worm) G-protein coupled receptor 0.0349 0.0281 0.1545
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0115 0.0046 0.0292
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0115 0.0046 0.0292
Brugia malayi hypothetical protein 0.0349 0.0281 0.0236
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0175 0.0106 0.5
Onchocerca volvulus 0.0349 0.0281 0.1545
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0349 0.0281 0.1793
Loa Loa (eye worm) G-protein coupled receptor 0.0349 0.0281 0.1545
Echinococcus multilocularis rhodopsin orphan GPCR 0.0349 0.0281 0.1793
Echinococcus multilocularis thymidylate synthase 0.013 0.0061 0.039
Brugia malayi hypothetical protein 0.0349 0.0281 0.0236
Echinococcus granulosus orexin receptor type 2 0.0349 0.0281 0.1793
Mycobacterium ulcerans thymidylate synthase 0.013 0.0061 0.0087
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Onchocerca volvulus 0.0349 0.0281 0.1545
Schistosoma mansoni amine GPCR 0.0349 0.0281 0.1793
Brugia malayi AKH receptor 0.0349 0.0281 0.0236
Echinococcus granulosus glycine receptor subunit alpha 1 0.0115 0.0046 0.0292
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.013 0.0061 0.0094
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0349 0.0281 0.0236
Brugia malayi larval opioid receptor 0.0349 0.0281 0.0236
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0349 0.0281 0.1793
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0349 0.0281 0.1793
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0292 0.0224 0.1427
Brugia malayi hypothetical protein 0.0349 0.0281 0.0236
Echinococcus multilocularis neuropeptide receptor A26 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Echinococcus granulosus nmda type glutamate receptor 0.0162 0.0093 0.0597
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0349 0.0281 0.1793
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0115 0.0046 0.0292
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0115 0.0046 0.0292
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0115 0.0046 0.0292
Loa Loa (eye worm) hypothetical protein 0.0292 0.0224 0.1168
Echinococcus granulosus neuropeptide receptor 0.0349 0.0281 0.1793
Schistosoma mansoni alpha-1 adrenergic receptor 0.0349 0.0281 0.1793
Echinococcus granulosus dihydrofolate reductase 0.1506 0.144 0.9187
Schistosoma mansoni amine GPCR 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Echinococcus granulosus neuropeptide Y receptor 0.0349 0.0281 0.1793
Treponema pallidum sodium- and chloride- dependent transporter 0.0292 0.0224 1
Brugia malayi hypothetical protein 0.0349 0.0281 0.0236
Echinococcus multilocularis neuropeptide s receptor 0.0349 0.0281 0.1793
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0115 0.0046 0.0292
Loa Loa (eye worm) neuropeptide F receptor 0.0349 0.0281 0.1545
Echinococcus multilocularis orexin receptor type 2 0.0349 0.0281 0.1793
Brugia malayi hypothetical protein 0.0349 0.0281 0.0236
Schistosoma mansoni nAChR subunit 0.0115 0.0046 0.0292
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0187 0.0118 0.0754
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0349 0.0281 0.1793
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0349 0.0281 0.1793
Echinococcus multilocularis rhodopsin orphan GPCR 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Brugia malayi TspO/MBR family protein 0.1633 0.1567 0.1528
Onchocerca volvulus 0.1633 0.1567 1
Loa Loa (eye worm) dihydrofolate reductase 0.1506 0.144 0.9163
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Onchocerca volvulus 0.0349 0.0281 0.1545
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Echinococcus granulosus allatostatin A receptor 0.0349 0.0281 0.1793
Echinococcus granulosus somatostatin receptor 0.0349 0.0281 0.1793
Echinococcus granulosus neuropeptide Y receptor 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Echinococcus granulosus 7TM GPCR rhodopsin 0.0349 0.0281 0.1793
Schistosoma mansoni nAChR subunit 0.0115 0.0046 0.0292
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0738 0.0671 0.5
Schistosoma mansoni opsin-like receptor 0.0349 0.0281 0.1793
Echinococcus granulosus glycine receptor subunit alpha 1 0.0115 0.0046 0.0292
Schistosoma mansoni neuropeptide receptor 0.0349 0.0281 0.1793
Echinococcus multilocularis nAChR subunit 0.0115 0.0046 0.0292
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0115 0.0046 0.0292
Brugia malayi Dopamine receptor protein 1 0.0349 0.0281 0.0236
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0349 0.0281 0.1793
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0349 0.0281 0.1793
Brugia malayi ERG2 and Sigma1 receptor like protein 0.1103 0.1036 0.0995
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Brugia malayi hypothetical protein 0.0349 0.0281 0.0236
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Echinococcus granulosus rhodopsin orphan GPCR 0.0349 0.0281 0.1793
Echinococcus multilocularis glycine receptor subunit beta 0.0115 0.0046 0.0292
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0187 0.0118 0.0476
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0115 0.0046 0.0292
Echinococcus multilocularis neuropeptide Y receptor 0.0349 0.0281 0.1793
Brugia malayi ORL1-like opioid receptor 0.0349 0.0281 0.0236
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0292 0.0224 0.0179
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Echinococcus granulosus g protein coupled receptor 0.0349 0.0281 0.1793
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0349 0.0281 0.1545
Echinococcus multilocularis allatostatin A receptor 0.0349 0.0281 0.1793
Echinococcus granulosus rhodopsin orphan GPCR 0.0349 0.0281 0.1793
Schistosoma mansoni biogenic amine (5HT) receptor 0.0349 0.0281 0.1793
Echinococcus multilocularis rhodopsin orphan GPCR 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0115 0.0046 0.0292
Echinococcus multilocularis dro:myosuppressin receptor 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Loa Loa (eye worm) neuropeptide F receptor 0.0349 0.0281 0.1545
Schistosoma mansoni hypothetical protein 0.0349 0.0281 0.1793
Schistosoma mansoni biogenic amine receptor 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0115 0.0046 0.0292
Echinococcus granulosus neuropeptide s receptor 0.0349 0.0281 0.1793
Schistosoma mansoni biogenic amine (5HT) receptor 0.0349 0.0281 0.1793
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0349 0.0281 0.1793
Echinococcus granulosus thymidylate synthase 0.013 0.0061 0.039
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0349 0.0281 0.1793
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0738 0.0671 0.5
Onchocerca volvulus 0.0349 0.0281 0.1545
Echinococcus granulosus glycine receptor subunit alpha 1 0.0115 0.0046 0.0292
Echinococcus granulosus sex peptide receptor 0.0349 0.0281 0.1793
Echinococcus granulosus rhodopsin orphan GPCR 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Echinococcus granulosus rhodopsin orphan GPCR 0.0349 0.0281 0.1793
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0349 0.0281 0.1545
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0162 0.0093 0.0597
Brugia malayi G protein-coupled receptor 0.0349 0.0281 0.0236
Mycobacterium ulcerans tryptophan-rich sensory protein 0.1633 0.1567 1
Brugia malayi neuropeptide F receptor 0.0349 0.0281 0.0236
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0349 0.0281 0.1793
Echinococcus granulosus fmrfamide receptor 0.0349 0.0281 0.1793
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0115 0.0046 0.0292
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Loa Loa (eye worm) hypothetical protein 0.1633 0.1567 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0349 0.0281 0.1793
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0349 0.0281 0.1793
Brugia malayi follicle stimulating hormone receptor 0.0349 0.0281 0.0236
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Echinococcus multilocularis glycine receptor subunit beta 0.0115 0.0046 0.0292
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1103 0.1036 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0349 0.0281 0.1793
Echinococcus multilocularis neuropeptides capa receptor 0.0349 0.0281 0.1793
Echinococcus granulosus glycine receptor subunit beta 0.0115 0.0046 0.0292
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Onchocerca volvulus 0.0349 0.0281 0.1545
Schistosoma mansoni nAChR subunit 0.0115 0.0046 0.0292
Echinococcus granulosus tachykinin peptides receptor 99D 0.0349 0.0281 0.1793
Schistosoma mansoni nAChR subunit 0.0115 0.0046 0.0292
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0349 0.0281 0.0236
Echinococcus multilocularis fmrfamide receptor 0.0349 0.0281 0.1793
Echinococcus multilocularis neuropeptide receptor 0.0349 0.0281 0.1793
Echinococcus multilocularis dihydrofolate reductase 0.1506 0.144 0.9187
Schistosoma mansoni neuropeptide receptor 0.0349 0.0281 0.1793
Brugia malayi Dopamine receptor protein 2 0.0349 0.0281 0.0236
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0349 0.0281 0.1545
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Brugia malayi G protein-coupled receptor F59B2.13 0.0349 0.0281 0.0236
Echinococcus multilocularis neuropeptide receptor 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.1633 0.1567 1
Schistosoma mansoni dihydrofolate reductase 0.1506 0.144 0.9187
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Echinococcus granulosus tm gpcr rhodopsin 0.0349 0.0281 0.1793
Echinococcus granulosus g-protein coupled receptor 0.0349 0.0281 0.1793
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0349 0.0281 0.1793
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0115 0.0046 0.0292
Echinococcus granulosus neuropeptide FF receptor 2 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0292 0.0224 0.1168
Echinococcus multilocularis serotonin receptor 0.0349 0.0281 0.1793
Echinococcus multilocularis serotonin receptor 0.0349 0.0281 0.1793
Echinococcus multilocularis serotonin transporter 0.0292 0.0224 0.1427
Schistosoma mansoni neuropeptide F-like receptor 0.0349 0.0281 0.1793
Echinococcus multilocularis nmda type glutamate receptor 0.0162 0.0093 0.0597
Echinococcus multilocularis sex peptide receptor 0.0349 0.0281 0.1793
Brugia malayi thymidylate synthase 0.013 0.0061 0.0015
Brugia malayi hypothetical protein 0.0349 0.0281 0.0236
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.1506 0.144 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0349 0.0281 0.1545
Schistosoma mansoni neuropeptide receptor 0.0349 0.0281 0.1793
Brugia malayi Serotonin receptor 0.7929 0.7874 0.7864
Echinococcus granulosus biogenic amine 5HT receptor 0.0349 0.0281 0.1793
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0115 0.0046 0.0292
Brugia malayi neuropeptide F receptor 0.0349 0.0281 0.0236
Brugia malayi dihydrofolate reductase family protein 0.1506 0.144 0.14
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0349 0.0281 0.1793
Loa Loa (eye worm) norepinephrine transporter 0.0292 0.0224 0.1168
Echinococcus multilocularis rhodopsin orphan GPCR 0.0349 0.0281 0.1793
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0738 0.0671 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0349 0.0281 0.1793
Onchocerca volvulus 0.0349 0.0281 0.1545
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0115 0.0046 0.0292
Schistosoma mansoni opsin-like receptor 0.0349 0.0281 0.1793
Brugia malayi putative neuropeptide receptor 0.0349 0.0281 0.0236
Brugia malayi hypothetical protein 0.0349 0.0281 0.0236
Schistosoma mansoni voltage-gated potassium channel 0.0204 0.0135 0.0864
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0349 0.0281 0.1793
Echinococcus granulosus neuropeptide receptor 0.0349 0.0281 0.1793
Echinococcus multilocularis g-protein coupled receptor 0.0349 0.0281 0.1793
Echinococcus granulosus hypothetical protein 0.0349 0.0281 0.1793
Echinococcus granulosus g protein coupled receptor 0.0349 0.0281 0.1793
Loa Loa (eye worm) solute carrier family 6 member 4 0.0292 0.0224 0.1168
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0349 0.0281 0.1793
Echinococcus granulosus 7tm_1 domain containing protein 0.0349 0.0281 0.1793
Leishmania major C-8 sterol isomerase-like protein 0.1103 0.1036 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0349 0.0281 0.1793
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0349 0.0281 0.1793
Echinococcus granulosus biogenic amine 5HT receptor 0.0349 0.0281 0.1793
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0349 0.0281 0.0236
Loa Loa (eye worm) hypothetical protein 0.0162 0.0093 0.0313
Schistosoma mansoni neuropeptide f receptor 76f 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Onchocerca volvulus 0.0349 0.0281 0.1545
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0349 0.0281 0.1793
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0292 0.0224 0.1168
Echinococcus multilocularis g protein coupled receptor 0.0349 0.0281 0.1793
Schistosoma mansoni biogenic amine receptor 0.0349 0.0281 0.1793
Echinococcus granulosus translocator protein 0.1633 0.1567 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0349 0.0281 0.1793
Onchocerca volvulus 0.0349 0.0281 0.1545
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0115 0.0046 0.0292
Schistosoma mansoni amine GPCR 0.0349 0.0281 0.1793
Schistosoma mansoni amine GPCR 0.0349 0.0281 0.1793
Echinococcus granulosus rhodopsin orphan GPCR 0.0349 0.0281 0.1793
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0349 0.0281 0.1545
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0115 0.0046 0.0292
Schistosoma mansoni adenoreceptor 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Schistosoma mansoni nAChR subunit 0.0115 0.0046 0.0292
Brugia malayi Dopamine receptor 0.0349 0.0281 0.0236
Echinococcus multilocularis rhodopsin orphan GPCR 0.0349 0.0281 0.1793
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0349 0.0281 0.0236
Onchocerca volvulus 0.0349 0.0281 0.1545
Brugia malayi hypothetical protein 0.0659 0.0591 0.0548
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Onchocerca volvulus 0.0349 0.0281 0.1545
Onchocerca volvulus 0.0349 0.0281 0.1545
Schistosoma mansoni voltage-gated potassium channel 0.0204 0.0135 0.0864
Trypanosoma brucei C-8 sterol isomerase, putative 0.1103 0.1036 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0115 0.0046 0.0292
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0349 0.0281 0.1545
Echinococcus granulosus peptide allatostatin:somatostatin 0.0349 0.0281 0.1793
Schistosoma mansoni hypothetical protein 0.0349 0.0281 0.1793
Onchocerca volvulus 0.0349 0.0281 0.1545
Echinococcus granulosus neuropeptides capa receptor 0.0349 0.0281 0.1793
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0115 0.0046 0.0292
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0349 0.0281 0.1793
Echinococcus granulosus tm gpcr rhodopsin 0.0349 0.0281 0.1793
Echinococcus multilocularis somatostatin receptor 0.0349 0.0281 0.1793
Echinococcus multilocularis rhodopsin orphan GPCR 0.0349 0.0281 0.1793
Schistosoma mansoni peripheral-type benzodiazepine receptor 0.1633 0.1567 1
Loa Loa (eye worm) hypothetical protein 0.1103 0.1036 0.6509
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0349 0.0281 0.1793
Echinococcus granulosus tm gpcr rhodopsin 0.0349 0.0281 0.1793
Echinococcus multilocularis g protein coupled receptor 0.0349 0.0281 0.1793
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.1506 0.144 0.9162
Echinococcus multilocularis G protein coupled receptor 139 0.0349 0.0281 0.1793
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0349 0.0281 0.0236
Schistosoma mansoni biogenic amine receptor 0.0349 0.0281 0.1793
Loa Loa (eye worm) hypothetical protein 0.0349 0.0281 0.1545
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0349 0.0281 0.1793
Schistosoma mansoni hypothetical protein 0.0349 0.0281 0.1793
Echinococcus granulosus rhodopsin orphan GPCR 0.0349 0.0281 0.1793
Echinococcus multilocularis translocator protein 0.1633 0.1567 1
Brugia malayi G-protein coupled receptor 0.0349 0.0281 0.0236
Loa Loa (eye worm) thymidylate synthase 0.013 0.0061 0.01
Schistosoma mansoni hypothetical protein 0.0349 0.0281 0.1793
Onchocerca volvulus 0.013 0.0061 0.01
Onchocerca volvulus 0.1633 0.1567 1

Activities

Activity type Activity value Assay description Source Reference
Activity scale (binding) < 10 nM Antimycobacterial activity scale was evaluated and found to be highly active against MAC Dihydrofolate reductase ChEMBL. 11754578
Activity scale (binding) < 10 nM Antimycobacterial activity scale was evaluated and found to be highly active against MAC Dihydrofolate reductase ChEMBL. 11754578
Activity scale (binding) > 1000 nM Antimycobacterial activity scale was evaluated and found to be moderately active against human Dihydrofolate reductase ranges from 100-1000. ChEMBL. 11754578
Activity scale (binding) > 1000 nM Antimycobacterial activity scale was evaluated and found to be moderately active against human Dihydrofolate reductase ranges from 100-1000. ChEMBL. 11754578
IC50 (binding) = 6.893 Inhibition of rat liver dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 7.3372 Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 7.7959 Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 1.1 nM Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR) ChEMBL. 11754578
IC50 (binding) = 1.1 nM Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR) ChEMBL. 11754578
IC50 (binding) = 16 nM Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii ChEMBL. 7752201
IC50 (binding) = 16 nM Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii ChEMBL. 7752201
IC50 (binding) = 39 nM Inhibitory activity against Dihydrofolate reductase from Lactobacillus casei ChEMBL. 7752201
IC50 (binding) = 39 nM Inhibitory activity against Dihydrofolate reductase from Lactobacillus casei ChEMBL. 7752201
IC50 (binding) = 46 nM Inhibitory activity against Dihydrofolate reductase from Pneumocystis carinii ChEMBL. 7752201
IC50 (binding) = 46 nM Inhibitory activity against Dihydrofolate reductase from Pneumocystis carinii ChEMBL. 7752201
IC50 (binding) = 128 nM Inhibitory activity against Dihydrofolate reductase from rat liver ChEMBL. 7752201
IC50 (binding) = 128 nM Inhibitory activity against Dihydrofolate reductase from rat liver ChEMBL. 7752201
IC50 (binding) = 1000 nM Antimycobacterial activity against human dihydrofolate reductase (hDHFR) ChEMBL. 11754578
IC50 (binding) = 1000 nM Antimycobacterial activity against human dihydrofolate reductase (hDHFR) ChEMBL. 11754578
IC50 (binding) = 0.01 uM Inhibitory activity of the compound against rat liver dihydrofolate reductase ChEMBL. 8632434
IC50 (binding) = 0.01 uM Inhibitory activity of the compound against rat liver dihydrofolate reductase ChEMBL. 8632434
IC50 (binding) = 0.011 uM Inhibitory activity against Pneumocystis carinii dihydrofolate reductase ChEMBL. 8632434
IC50 (binding) = 0.011 uM Inhibitory activity against Pneumocystis carinii dihydrofolate reductase ChEMBL. 8632434
IC50 (binding) = 0.014 uM Inhibitory activity against Toxoplasma gondii dihydrofolate reductase ChEMBL. 8632434
IC50 (binding) = 0.014 uM Inhibitory activity against Toxoplasma gondii dihydrofolate reductase ChEMBL. 8632434
IC50 (binding) = 0.016 uM Inhibition of Dihydrofolate Reductase of Toxoplasma gondii. ChEMBL. 9046338
IC50 (binding) = 0.016 uM Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 0.016 uM Inhibition of Dihydrofolate Reductase of Toxoplasma gondii. ChEMBL. 9046338
IC50 (binding) = 0.016 uM Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 0.046 uM Inhibition of Dihydrofolate Reductase of Pneumocystis carinii. ChEMBL. 9046338
IC50 (binding) = 0.046 uM Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 0.046 uM Inhibition of Dihydrofolate Reductase of Pneumocystis carinii. ChEMBL. 9046338
IC50 (binding) = 0.046 uM Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 0.128 uM Inhibition of rat liver dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 0.128 uM Inhibition of rat liver dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 0.13 uM Inhibition of Dihydrofolate Reductase of Rat Liver. ChEMBL. 9046338
IC50 (binding) = 0.13 uM Inhibition of Dihydrofolate Reductase of Rat Liver. ChEMBL. 9046338
IC50 (functional) = 0.2 uM Inhibition of Toxoplasma gondii cell growth ChEMBL. 8632434
IC50 (functional) = 0.2 uM Inhibition of Toxoplasma gondii cell growth ChEMBL. 8632434
IC50 (functional) = 1.5 uM Inhibitory activity against cultured Toxoplasma gondii ChEMBL. 7752201
IC50 (functional) = 1.5 uM Inhibitory activity against cultured Toxoplasma gondii ChEMBL. 7752201
Log IC50 (binding) = 6.8928 Inhibition of rat liver dihydrofolate reductase ChEMBL. 15743188
Log IC50 (binding) = 7.3372 Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 15743188
Log IC50 (binding) = 7.7959 Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 15743188
Ratio (binding) = 2.8 Ratio of the inhibitory concentrations against rat liver DHFR and Pneumocystis carinii DHFR ChEMBL. 7752201
Ratio (binding) = 8 Ratio of the inhibitory concentrations against rat liver DHFR and Toxoplasma gondii DHFR. ChEMBL. 7752201
Ratio (binding) = 94 Ratio of the inhibitory concentrations of the compound against Toxoplasma gondii DHFR in culture and Toxoplasma gondii DHFR. ChEMBL. 7752201
Selectivity (binding) = 0.73 Ratio of IC50 rat liver DHFR vs IC50 of T. gondii DHFR ChEMBL. 8632434
Selectivity (binding) = 0.94 Ratio of IC50 rat liver DHFR vs IC50 of P. carinii DHFR ChEMBL. 8632434
Selectivity ratio (binding) = 2.8 Relative affinity for dihydrofolate reductase of rat liver and P. carinii ChEMBL. 9046338
Selectivity ratio (binding) = 8 Relative affinity for dihydrofolate reductase of rat liver and T. gondii ChEMBL. 9046338

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Toxoplasma gondii ChEMBL23 7752201

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:

Affected Entity Phenotypic quality Occurs in Occurs at Evidence Observed in Targets
catalytic activity (GO:0003824) decreased (PATO:0000468) in vitro (MI:0492) inferred from specific protein inhibition (ECO:0000020) Mycobacterium avium 256134  
Annotator: crowther@u.washington.edu Comment: 2007-12-27 References: 10579848 10991861 11754594 12467708 12699390 12832132 14998335 15026078 15115391 15214795 15974594 17010625 9554874
growth (GO:0040007) decreased (PATO:0000468) inferred from in vitro culture assay (ECO:0000182) Mycobacterium avium 256134  
Annotator: crowther@u.washington.edu Comment: 2007-12-27 References: 10052907 10991861 14998335 7486934 8913480 9835537
growth (GO:0040007) decreased (PATO:0000468) inferred from in vitro culture assay (ECO:0000182) Mycobacterium tuberculosis 256134  
Annotator: crowther@u.washington.edu Comment: 2007-12-27 References: 10052907 11597474 12384337
growth (GO:0040007) decreased (PATO:0000468) inferred from in vitro culture assay (ECO:0000182) Mycobacterium avium 5868  
Annotator: crowther@u.washington.edu Comment: 2007-12-27 References: 10052907 10991861 14998335 7486934 8913480 9835537
catalytic activity (GO:0003824) decreased (PATO:0000468) in vitro (MI:0492) inferred from specific protein inhibition (ECO:0000020) Mycobacterium avium 5868  
Annotator: crowther@u.washington.edu Comment: 2007-12-27 References: 10579848 10991861 11754594 12467708 12699390 12832132 14998335 15026078 15115391 15214795 15974594 17010625 9554874
growth (GO:0040007) decreased (PATO:0000468) inferred from in vitro culture assay (ECO:0000182) Mycobacterium tuberculosis 5868  
Annotator: crowther@u.washington.edu Comment: 2007-12-27 References: 10052907 11597474 12384337

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

24 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.