Detailed information for compound 46450

Basic information

Technical information
  • TDR Targets ID: 46450
  • Name: 2,4-Diamino-6-[N-(3',5'-Dimethoxybenzyl)-N-Me thylamino]Pyrido[2,3-D]Pyrimidine
  • MW: 340.38 | Formula: C17H20N6O2
  • H donors: 2 H acceptors: 3 LogP: 1.67 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1)OC)CN(c1cnc2c(c1)c(N)nc(n2)N)C
  • InChi: 1S/C17H20N6O2/c1-23(9-10-4-12(24-2)7-13(5-10)25-3)11-6-14-15(18)21-17(19)22-16(14)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)
  • InChiKey: XWCCXDBXMCTZPW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N6-[(3,5-dimethoxyphenyl)methyl]-N6-methylpyrido[5,6-e]pyrimidine-2,4,6-triamine
  • 6-N-[(3,5-dimethoxyphenyl)methyl]-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine
  • N6-[(3,5-dimethoxyphenyl)methyl]-N6-methyl-pyrido[2,3-d]pyrimidine-2,4,6-triamine
  • N6-[(3,5-dimethoxyphenyl)methyl]-N6-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine
  • (2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)-(3,5-dimethoxybenzyl)-methyl-amine
  • N6-[(3,5-dimethoxyphenyl)methyl]-N6-methyl-pyrido[5,6-e]pyrimidine-2,4,6-triamine
  • (2,4-diaminopyrido[6,5-d]pyrimidin-6-yl)-(3,5-dimethoxybenzyl)-methyl-amine
  • CoQ

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dihydrofolate reductase Starlite/ChEMBL References
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
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
Neospora caninum Bifunctional dihydrofolate reductase-thymidylate synthase, related Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Plasmodium knowlesi bifunctional dihydrofolate reductase-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
Brugia malayi dihydrofolate reductase family 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
Candida albicans hypothetical protein Get druggable targets OG5_128410 All targets in OG5_128410
Brugia malayi 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
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 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
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
Candida albicans 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
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 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
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:K00287 dihydrofolate reductase [EC1.5.1.3], putative Get druggable targets OG5_128410 All targets in OG5_128410
Leishmania infantum dihydrofolate reductase-thymidylate synthase 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
Schistosoma japonicum ko:K00560 thymidylate synthase [EC2.1.1.45], putative 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
Echinococcus granulosus 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
Loa Loa (eye worm) 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
Trypanosoma cruzi 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
Leishmania major dihydrofolate reductase-thymidylate synthase 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
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) Get druggable targets OG5_128410 All targets in OG5_128410
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127385 All targets in OG5_127385
Onchocerca volvulus 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
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
Leishmania donovani 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
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) 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
Theileria parva dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 193 aa 32.1 %
Leishmania mexicana dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 33.7 %
Leishmania donovani dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Cryptosporidium parvum dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 182 aa 33.5 %
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 210 aa 30.0 %
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   206 aa 193 aa 29.5 %
Leishmania major 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 %
Trypanosoma brucei gambiense dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 210 aa 30.0 %
Cryptosporidium hominis chain A, crystal structure of Dhfr Dihydrofolate reductase   187 aa 182 aa 34.1 %
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 %
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 %
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 202 aa 29.2 %
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase dihydrofolate reductase 187 aa 202 aa 29.7 %
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 %
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 209 aa 29.2 %
Neospora caninum Bifunctional dihydrofolate reductase-thymidylate synthase, related Dihydrofolate reductase   187 aa 187 aa 35.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0079 0.0299 0.0699
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Brugia malayi hypothetical protein 0.0079 0.0299 0.0699
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Echinococcus multilocularis dihydrofolate reductase 0.0963 0.4277 0.4275
Echinococcus multilocularis lamin 0.0027 0.0065 0.0063
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0065 0.0153
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0217 0.0777
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0027 0.0065 0.0177
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0079 0.0299 0.0297
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 0.0299 0.0655
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0579 0.2553 1
Schistosoma mansoni lamin 0.0027 0.0065 0.0106
Mycobacterium tuberculosis Probable dehydrogenase 0.0111 0.0444 0.0996
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0065 0.0152
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0079 0.0299 0.0655
Onchocerca volvulus 0.0079 0.0299 0.2395
Schistosoma mansoni amine GPCR 0.0079 0.0299 0.0655
Schistosoma mansoni biogenic amine receptor 0.0079 0.0299 0.0655
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0217 0.0462
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 0.0299 0.0297
Brugia malayi putative neuropeptide receptor 0.0079 0.0299 0.0699
Brugia malayi G-protein coupled receptor 0.0079 0.0299 0.0699
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0079 0.0299 0.0655
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.011 0.0107
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0027 0.0065 0.0177
Schistosoma mansoni hypothetical protein 0.0079 0.0299 0.0655
Brugia malayi Pre-SET motif family protein 0.0214 0.0908 0.2124
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0083 0.0147
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.002 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0222 0.1977
Mycobacterium tuberculosis Hypothetical protein 0.0062 0.0222 0.0474
Echinococcus multilocularis thymidylate synthase 0.013 0.0528 0.0526
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Plasmodium vivax glutathione reductase, putative 0.0049 0.0163 0.0565
Loa Loa (eye worm) hypothetical protein 0.0932 0.414 0.968
Schistosoma mansoni neuropeptide receptor 0.0079 0.0299 0.0655
Onchocerca volvulus 0.0079 0.0299 0.2395
Trichomonas vaginalis set domain proteins, putative 0.0244 0.1042 1
Echinococcus granulosus sex peptide receptor 0.0079 0.0299 0.0297
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 0.0299 0.0297
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Brugia malayi dihydrofolate reductase family protein 0.0963 0.4277 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0111 0.0444 0.0996
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0299 0.0297
Schistosoma mansoni histamine h1 receptor 0.0079 0.0299 0.0655
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0079 0.0299 0.0297
Brugia malayi Dopamine receptor 0.0079 0.0299 0.0699
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.002 0.0047
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0299 0.0297
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 0.0299 0.0655
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0123 0.05 0.0145
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0079 0.0299 0.0698
Trichomonas vaginalis flap endonuclease-1, putative 0.0027 0.0065 0.0438
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0027 0.0065 0.0177
Onchocerca volvulus 0.0079 0.0299 0.2395
Brugia malayi larval opioid receptor 0.0079 0.0299 0.0699
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0079 0.0299 0.0655
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0217 0.0462
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0079 0.0299 0.0297
Echinococcus granulosus 7tm_1 domain containing protein 0.0079 0.0299 0.0297
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 0.0299 0.0655
Brugia malayi glutathione reductase 0.0049 0.0163 0.0382
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Loa Loa (eye worm) hypothetical protein 0.0031 0.0083 0.0192
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0963 0.4277 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0079 0.0299 0.0297
Echinococcus multilocularis fmrfamide receptor 0.0079 0.0299 0.0297
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.011 0.0256
Schistosoma mansoni biogenic amine (5HT) receptor 0.0079 0.0299 0.0655
Echinococcus granulosus somatostatin receptor 0.0079 0.0299 0.0297
Loa Loa (eye worm) hypothetical protein 0.0027 0.0065 0.0152
Echinococcus multilocularis neuropeptide FF receptor 2 0.0079 0.0299 0.0297
Echinococcus granulosus neuropeptide s receptor 0.0079 0.0299 0.0297
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0079 0.0299 0.2395
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0163 0.0161
Schistosoma mansoni neuropeptide F-like receptor 0.0079 0.0299 0.0655
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Echinococcus multilocularis g-protein coupled receptor 0.0079 0.0299 0.0297
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 0.0299 0.0655
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.002 0.0017
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Loa Loa (eye worm) TYRA-2 protein 0.0079 0.0299 0.0698
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 0.0299 0.0297
Onchocerca volvulus Neuropeptide F receptor homolog 0.0079 0.0299 0.2395
Echinococcus granulosus neuropeptide receptor A26 0.0079 0.0299 0.0297
Brugia malayi G protein-coupled receptor F59B2.13 0.0079 0.0299 0.0699
Echinococcus granulosus flap endonuclease 1 0.0027 0.0065 0.0062
Echinococcus granulosus 7TM GPCR rhodopsin 0.0079 0.0299 0.0297
Echinococcus granulosus neuropeptide FF receptor 2 0.0079 0.0299 0.0297
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 0.0299 0.0655
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0079 0.0299 0.0297
Echinococcus granulosus lamin dm0 0.0027 0.0065 0.0063
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0217 0.0462
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0079 0.0299 0.0655
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0079 0.0299 0.0698
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0163 0.0565
Plasmodium vivax flap endonuclease 1, putative 0.0027 0.0065 0.0177
Brugia malayi Tachykinin-like peptides receptor 99D 0.0079 0.0299 0.0699
Loa Loa (eye worm) hypothetical protein 0.0204 0.0864 0.202
Mycobacterium ulcerans thymidylate synthase 0.013 0.0528 0.1194
Echinococcus multilocularis flap endonuclease 1 0.0027 0.0065 0.0062
Brugia malayi Dopamine receptor protein 2 0.0079 0.0299 0.0699
Brugia malayi neuropeptide F receptor 0.0079 0.0299 0.0699
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0079 0.0299 0.0297
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0079 0.0299 0.0297
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0079 0.0299 0.0297
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0083 0.008
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0079 0.0299 0.0699
Echinococcus multilocularis neuropeptide receptor 0.0079 0.0299 0.0297
Onchocerca volvulus 0.0079 0.0299 0.2395
Echinococcus granulosus tm gpcr rhodopsin 0.0079 0.0299 0.0297
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0217 0.0214
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0083 0.0147
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0009 0.0021
Schistosoma mansoni growth hormone secretagogue receptor 0.0079 0.0299 0.0655
Schistosoma mansoni dihydrofolate reductase 0.0963 0.4277 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0579 0.2553 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Schistosoma mansoni biogenic amine receptor 0.0079 0.0299 0.0655
Mycobacterium tuberculosis Probable oxidoreductase 0.0123 0.05 0.1127
Loa Loa (eye worm) hypothetical protein 0.0932 0.414 0.968
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 0.0299 0.0655
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0062 0.0222 0.0797
Echinococcus granulosus biogenic amine 5HT receptor 0.0079 0.0299 0.0297
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Echinococcus multilocularis lamin dm0 0.0027 0.0065 0.0063
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Schistosoma mansoni opsin-like receptor 0.0079 0.0299 0.0655
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0579 0.2553 1
Echinococcus multilocularis neuropeptide s receptor 0.0079 0.0299 0.0297
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0079 0.0299 0.0655
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0123 0.05 0.1127
Brugia malayi hypothetical protein 0.0062 0.0222 0.0519
Brugia malayi Pre-SET motif family protein 0.0031 0.0083 0.0193
Schistosoma mansoni intermediate filament proteins 0.0027 0.0065 0.0106
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0079 0.0299 0.0655
Brugia malayi neuropeptide F receptor 0.0079 0.0299 0.0699
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0083 0.008
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Brugia malayi Thioredoxin reductase 0.0049 0.0163 0.0382
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0299 0.0297
Brugia malayi sulfakinin receptor protein 0.0079 0.0299 0.0699
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Onchocerca volvulus 0.0079 0.0299 0.2395
Schistosoma mansoni flap endonuclease-1 0.0024 0.0053 0.0078
Onchocerca volvulus 0.0079 0.0299 0.2395
Schistosoma mansoni opsin-like receptor 0.0079 0.0299 0.0655
Brugia malayi hypothetical protein 0.0079 0.0299 0.0699
Echinococcus multilocularis neuropeptide Y receptor 0.0079 0.0299 0.0297
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0079 0.0299 0.0297
Leishmania major trypanothione reductase 0.0049 0.0163 0.0565
Echinococcus granulosus lamin 0.0027 0.0065 0.0063
Treponema pallidum NADH oxidase 0.0017 0.002 0.5
Schistosoma mansoni amine GPCR 0.0079 0.0299 0.0655
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0163 0.0565
Echinococcus granulosus fmrfamide receptor 0.0079 0.0299 0.0297
Brugia malayi G protein-coupled receptor 0.0079 0.0299 0.0699
Trypanosoma brucei trypanothione reductase 0.0049 0.0163 0.0565
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0079 0.0299 0.0698
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.013 0.0528 0.1194
Echinococcus multilocularis neuropeptide Y receptor 0.0079 0.0299 0.0297
Schistosoma mansoni alpha-1 adrenergic receptor 0.0079 0.0299 0.0655
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0065 0.0152
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0077 0.0075
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.013 0.0528 0.022
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0079 0.0299 0.0297
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0217 0.0462
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0099 0.0772
Echinococcus multilocularis neuropeptide receptor A26 0.0079 0.0299 0.0297
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0009 0.002
Mycobacterium tuberculosis Probable reductase 0.0111 0.0444 0.0996
Schistosoma mansoni neuropeptide f receptor 76f 0.0079 0.0299 0.0655
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0079 0.0299 0.0297
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0111 0.0444 0.0996
Echinococcus multilocularis G-protein coupled receptor, putative 0.0079 0.0299 0.0297
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Brugia malayi hypothetical protein 0.0079 0.0299 0.0699
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0099 0.0772
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0079 0.0299 0.0655
Onchocerca volvulus 0.0244 0.1042 1
Loa Loa (eye worm) dihydrofolate reductase 0.0963 0.4277 1
Echinococcus granulosus g protein coupled receptor 0.0079 0.0299 0.0297
Loa Loa (eye worm) neuropeptide F receptor 0.0079 0.0299 0.0698
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Schistosoma mansoni amine GPCR 0.0079 0.0299 0.0655
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0079 0.0299 0.0297
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0079 0.0299 0.0699
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0579 0.2553 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0079 0.0299 0.0698
Echinococcus multilocularis somatostatin receptor 0.0079 0.0299 0.0297
Onchocerca volvulus 0.0079 0.0299 0.2395
Giardia lamblia Flap structure-specific endonuclease 0.0027 0.0065 1
Echinococcus multilocularis g protein coupled receptor 0.0079 0.0299 0.0297
Echinococcus multilocularis musashi 0.0027 0.0065 0.0063
Brugia malayi Dopamine receptor protein 1 0.0079 0.0299 0.0699
Echinococcus granulosus tm gpcr rhodopsin 0.0079 0.0299 0.0297
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0083 0.0147
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0079 0.0299 0.0297
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0111 0.0444 0.0996
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0079 0.0299 0.0655
Brugia malayi AKH receptor 0.0079 0.0299 0.0699
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Plasmodium falciparum flap endonuclease 1 0.0027 0.0065 0.0177
Echinococcus multilocularis serotonin receptor 0.0204 0.0864 0.0862
Brugia malayi follicle stimulating hormone receptor 0.0079 0.0299 0.0699
Echinococcus granulosus intermediate filament protein 0.0027 0.0065 0.0063
Onchocerca volvulus 0.0031 0.0083 0.0176
Echinococcus multilocularis fmrfamide receptor 0.0079 0.0299 0.0297
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Echinococcus granulosus G protein coupled receptor 139 0.0079 0.0299 0.0297
Echinococcus granulosus dihydrofolate reductase 0.0963 0.4277 0.4275
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Brugia malayi hypothetical protein 0.0079 0.0299 0.0699
Loa Loa (eye worm) neuropeptide F receptor 0.0079 0.0299 0.0698
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0079 0.0299 0.0297
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0083 0.008
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0079 0.0299 0.0699
Brugia malayi hypothetical protein 0.0079 0.0299 0.0699
Chlamydia trachomatis dihydrofolate reductase 0.0963 0.4277 1
Brugia malayi GnHR receptor homolog 0.0079 0.0299 0.0699
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0217 0.0462
Echinococcus granulosus neuropeptide Y receptor 0.0079 0.0299 0.0297
Loa Loa (eye worm) hypothetical protein 0.0026 0.0063 0.0147
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Echinococcus granulosus serotonin receptor 0.0079 0.0299 0.0297
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0123 0.05 0.1127
Entamoeba histolytica Flap nuclease, putative 0.0027 0.0065 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0079 0.0299 0.0698
Echinococcus granulosus orexin receptor type 2 0.0079 0.0299 0.0297
Echinococcus granulosus neuropeptides capa receptor 0.0079 0.0299 0.0297
Schistosoma mansoni opsin-like receptor 0.0079 0.0299 0.0655
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0079 0.0299 0.0655
Plasmodium falciparum thioredoxin reductase 0.0049 0.0163 0.0565
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0111 0.0444 0.0996
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0027 0.0065 0.0177
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0125 0.0247
Echinococcus multilocularis neuropeptides capa receptor 0.0079 0.0299 0.0297
Schistosoma mansoni biogenic amine (5HT) receptor 0.0204 0.0864 0.1983
Toxoplasma gondii thioredoxin reductase 0.0049 0.0163 0.0565
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 0.0299 0.0297
Loa Loa (eye worm) G-protein coupled receptor 0.0079 0.0299 0.0698
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 0.0299 0.0655
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.002 0.0017
Brugia malayi hypothetical protein 0.0079 0.0299 0.0699
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.002 0.5
Onchocerca volvulus 0.0079 0.0299 0.2395
Echinococcus granulosus neuropeptide Y receptor 0.0079 0.0299 0.0297
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0079 0.0299 0.0297
Brugia malayi hypothetical protein 0.0079 0.0299 0.0699
Brugia malayi ORL1-like opioid receptor 0.0079 0.0299 0.0699
Echinococcus multilocularis allatostatin A receptor 0.0079 0.0299 0.0297
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.011 0.0257
Echinococcus granulosus neuropeptide receptor 0.0079 0.0299 0.0297
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0299 0.0297
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Brugia malayi hypothetical protein 0.0079 0.0299 0.0699
Loa Loa (eye worm) thymidylate synthase 0.013 0.0528 0.1234
Brugia malayi putative neuropeptide receptor NPR1 0.0079 0.0299 0.0699
Brugia malayi hypothetical protein 0.0125 0.0508 0.1188
Onchocerca volvulus 0.0079 0.0299 0.2395
Echinococcus granulosus neuropeptide receptor 0.0079 0.0299 0.0297
Brugia malayi intermediate filament protein 0.0027 0.0065 0.0153
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 0.0299 0.0655
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Brugia malayi Dihydrofolate reductase 0.0963 0.4277 1
Onchocerca volvulus 0.0079 0.0299 0.2395
Schistosoma mansoni biogenic amine receptor 0.0079 0.0299 0.0655
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Schistosoma mansoni hypothetical protein 0.0079 0.0299 0.0655
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0579 0.2553 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0163 0.0161
Schistosoma mansoni hypothetical protein 0.0079 0.0299 0.0655
Loa Loa (eye worm) glutathione reductase 0.0049 0.0163 0.0381
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Echinococcus granulosus alpha 1A adrenergic receptor 0.0079 0.0299 0.0297
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0079 0.0299 0.0655
Loa Loa (eye worm) hypothetical protein 0.0204 0.0864 0.202
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0963 0.4277 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0214 0.0908 0.2123
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Brugia malayi Serotonin receptor 0.0079 0.0299 0.0699
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0079 0.0299 0.0698
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0079 0.0299 0.0297
Echinococcus granulosus peptide allatostatin:somatostatin 0.0079 0.0299 0.0297
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0079 0.0299 0.0655
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Onchocerca volvulus 0.0079 0.0299 0.2395
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0079 0.0299 0.0698
Plasmodium falciparum glutathione reductase 0.0049 0.0163 0.0565
Plasmodium vivax SET domain protein, putative 0.0031 0.0083 0.0246
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0217 0.0462
Echinococcus granulosus biogenic amine 5HT receptor 0.0204 0.0864 0.0862
Onchocerca volvulus 0.0079 0.0299 0.2395
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 0.0299 0.0297
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0079 0.0299 0.0297
Schistosoma mansoni amine GPCR 0.0079 0.0299 0.0655
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0079 0.0299 0.0699
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0299 0.0297
Echinococcus granulosus g protein coupled receptor 0.0079 0.0299 0.0297
Echinococcus granulosus hypothetical protein 0.0079 0.0299 0.0297
Loa Loa (eye worm) hypothetical protein 0.0032 0.0088 0.0205
Brugia malayi RE15519p 0.0079 0.0299 0.0699
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0083 0.0147
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.013 0.0528 0.1194
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 0.0299 0.0297
Onchocerca volvulus 0.013 0.0528 0.4742
Brugia malayi Melatonin receptor type 1A 0.0079 0.0299 0.0699
Echinococcus granulosus dro:myosuppressin receptor 0.0079 0.0299 0.0297
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0079 0.0299 0.0655
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Echinococcus multilocularis g protein coupled receptor 0.0079 0.0299 0.0297
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 0.0299 0.0297
Brugia malayi Flap endonuclease-1 0.0027 0.0065 0.0152
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.011 0.0107
Echinococcus multilocularis g protein coupled receptor 0.0079 0.0299 0.0297
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0963 0.4277 1
Onchocerca volvulus 0.0079 0.0299 0.2395
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Echinococcus multilocularis neuropeptide receptor 0.0079 0.0299 0.0297
Brugia malayi hypothetical protein 0.0079 0.0299 0.0699
Echinococcus multilocularis neuropeptides capa receptor 0.0079 0.0299 0.0297
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0079 0.0299 0.0655
Echinococcus granulosus thymidylate synthase 0.013 0.0528 0.0526
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0079 0.0299 0.0297
Echinococcus multilocularis rhodopsin orphan GPCR 0.0079 0.0299 0.0297
Echinococcus multilocularis dro:myosuppressin receptor 0.0079 0.0299 0.0297
Echinococcus multilocularis serotonin receptor 0.0204 0.0864 0.0862
Brugia malayi hypothetical protein 0.0079 0.0299 0.0699
Loa Loa (eye worm) hypothetical protein 0.0013 0.0003 0.0005
Schistosoma mansoni neuropeptide receptor 0.0079 0.0299 0.0655
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0217 0.0214
Brugia malayi Serotonin receptor 0.0079 0.0299 0.0699
Echinococcus granulosus tachykinin peptides receptor 99D 0.0079 0.0299 0.0297
Echinococcus granulosus g-protein coupled receptor 0.0079 0.0299 0.0297
Echinococcus granulosus allatostatin A receptor 0.0079 0.0299 0.0297
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.0065 0.0151
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Onchocerca volvulus 0.0079 0.0299 0.2395
Echinococcus multilocularis G protein coupled receptor 139 0.0079 0.0299 0.0297
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0217 0.0777
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Brugia malayi G-protein coupled receptor 0.0079 0.0299 0.0699
Schistosoma mansoni hypothetical protein 0.0079 0.0299 0.0655
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0083 0.0246
Schistosoma mansoni neuropeptide receptor 0.0079 0.0299 0.0655
Schistosoma mansoni myosin xvIII 0.0079 0.0299 0.0655
Echinococcus granulosus neuropeptides capa receptor 0.0079 0.0299 0.0297
Schistosoma mansoni neuropeptide F-like receptor 0.0079 0.0299 0.0655
Loa Loa (eye worm) hypothetical protein 0.0327 0.1414 0.3305
Echinococcus multilocularis sex peptide receptor 0.0079 0.0299 0.0297
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Brugia malayi thymidylate synthase 0.013 0.0528 0.1235
Onchocerca volvulus 0.0079 0.0299 0.2395
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0579 0.2553 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0299 0.0297
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.0163 0.0336
Schistosoma mansoni amine GPCR 0.0079 0.0299 0.0655
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0125 0.0247
Echinococcus multilocularis orexin receptor type 2 0.0079 0.0299 0.0297
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.2234 1 1
Schistosoma mansoni adenoreceptor 0.0079 0.0299 0.0655
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0079 0.0299 0.0655
Schistosoma mansoni lamin 0.0027 0.0065 0.0106
Onchocerca volvulus 0.0079 0.0299 0.2395
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0079 0.0299 0.0297
Echinococcus granulosus rhodopsin orphan GPCR 0.0079 0.0299 0.0297
Loa Loa (eye worm) hypothetical protein 0.0079 0.0299 0.0698
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0163 0.0381
Schistosoma mansoni neuropeptide receptor 0.0079 0.0299 0.0655
Onchocerca volvulus 0.0079 0.0299 0.2395
Echinococcus granulosus g protein coupled receptor 0.0079 0.0299 0.0297

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.1192 Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 7.1427 Inhibition of rat liver dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 7.5086 Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) nM Inhibitory activity of the compound against recombinant sf dihydrofolate reductase(in 50 microM dihydrofolic acid);ND= Not determined ChEMBL. 8691474
IC50 (binding) nM Inhibitory activity of the compound against recombinant lc dihydrofolate reductase(in 50 microM dihydrofolic acid);ND= Not determined ChEMBL. 8691474
IC50 (binding) 0 nM Inhibitory activity of the compound against recombinant ec dihydrofolate reductase(in 50 microM dihydrofolic acid);ND= Not determined ChEMBL. 8691474
IC50 (binding) 0 nM Inhibitory activity of the compound against recombinant sf dihydrofolate reductase(in 50 microM dihydrofolic acid);ND= Not determined ChEMBL. 8691474
IC50 (binding) 0 nM Inhibitory activity of the compound against recombinant lc dihydrofolate reductase(in 50 microM dihydrofolic acid);ND= Not determined ChEMBL. 8691474
IC50 (binding) = 21 nM Inhibitory activity against Toxoplasma gondii dihydrofolate reductase (in 90 microM dihydrofolic acid) ChEMBL. 8691474
IC50 (binding) = 21 nM Inhibitory activity against Toxoplasma gondii dihydrofolate reductase (in 90 microM dihydrofolic acid) ChEMBL. 8691474
IC50 (binding) = 29 nM Inhibitory activity of the compound against Toxoplasma gondii dihydrofolate reductase (in 50 microM dihydrofolic acid) ChEMBL. 8691474
IC50 (binding) = 29 nM Inhibitory activity of the compound against Toxoplasma gondii dihydrofolate reductase (in 50 microM dihydrofolic acid) ChEMBL. 8691474
IC50 (binding) = 72 nM Inhibitory activity against rat liver dihydrofolate reductase (in 90 microM dihydrofolic acid) ChEMBL. 8691474
IC50 (binding) = 72 nM Inhibitory activity against rat liver dihydrofolate reductase (in 90 microM dihydrofolic acid) ChEMBL. 8691474
IC50 (binding) = 76 nM Inhibitory activity against Pneumocystis carinii dihydrofolate reductase (in 90 microM dihydrofolic acid) ChEMBL. 8691474
IC50 (binding) = 76 nM Inhibitory activity against Pneumocystis carinii dihydrofolate reductase (in 90 microM dihydrofolic acid) ChEMBL. 8691474
IC50 (binding) = 2900 nM Inhibitory activity against recombinant human dihydrofolate reductase(in 50 microM dihydrofolic acid) ChEMBL. 8691474
IC50 (binding) = 2900 nM Inhibitory activity against recombinant human dihydrofolate reductase(in 50 microM dihydrofolic acid) ChEMBL. 8691474
IC50 (binding) = 0.029 uM Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii (tgDHFR) ChEMBL. 9719595
IC50 (binding) = 0.029 uM Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii (tgDHFR) ChEMBL. 9719595
IC50 (binding) = 0.031 uM Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 0.031 uM Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 0.072 uM Inhibition of rat liver dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 0.072 uM Inhibition of rat liver dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 0.076 uM Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 0.076 uM Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 2.9 uM Inhibitory activity against Dihydrofolate reductase from recombinant human (hDHFR) ChEMBL. 9719595
IC50 (binding) = 2.9 uM Inhibitory activity against Dihydrofolate reductase from recombinant human (hDHFR) ChEMBL. 9719595
Log IC50 (binding) = 7.1192 Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 15743188
Log IC50 (binding) = 7.1427 Inhibition of rat liver dihydrofolate reductase ChEMBL. 15743188
Log IC50 (binding) = 7.5086 Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 15743188
logP (ADMET) = 1.87 Partition coefficient (logP) ChEMBL. 9719595
Selectivity ratio (binding) 0 Selectivity ratio is defined as IC50 human DHFR/IC50 ecDHFR;ND= Not determined ChEMBL. 8691474
Selectivity ratio (binding) 0 Selectivity ratio is defined as IC50 human DHFR/IC50 sfDHFR;ND= Not determined ChEMBL. 8691474
Selectivity ratio (binding) 0 Selectivity ratio is defined as IC50 human DHFR/IC50 lcDHFR;ND= Not determined ChEMBL. 8691474
Selectivity ratio (binding) = 0.9 Selectivity ratio is defined as IC50 rlDHFR/IC50 pcDHFR ChEMBL. 8691474
Selectivity ratio (binding) = 2.3 Selectivity ratio is defined as IC50 rlDHFR/IC50 tgDHFR ChEMBL. 8691474
Selectivity ratio (binding) = 100 Selectivity ratio is defined as IC50 human DHFR/IC50 tgDHFR ChEMBL. 8691474

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

3 literature references were collected for this gene.

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