Detailed information for compound 34600

Basic information

Technical information
  • TDR Targets ID: 34600
  • Name: 3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy lamino]benzoyl]amino]propane-1-sulfonic acid
  • MW: 446.483 | Formula: C18H22N8O4S
  • H donors: 4 H acceptors: 8 LogP: -0.7 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(N)c2c(n1)ncc(n2)CN(c1ccc(cc1)C(=O)NCCCS(=O)(=O)O)C
  • InChi: 1S/C18H22N8O4S/c1-26(10-12-9-22-16-14(23-12)15(19)24-18(20)25-16)13-5-3-11(4-6-13)17(27)21-7-2-8-31(28,29)30/h3-6,9H,2,7-8,10H2,1H3,(H,21,27)(H,28,29,30)(H4,19,20,22,24,25)
  • InChiKey: ZWNOUWBCPHEYMA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]propane-1-sulfonic acid
  • 3-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]-1-propanesulfonic acid
  • 3-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]propane-1-sulfonic acid
  • 3-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]propane-1-sulfonic acid
  • 3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]propane-1-sulfonic acid
  • 113811-47-5
  • NCI60_034435
  • 3-[N-(4-Amino-4-deoxy-N10-methylpteroyl)amino]propane-sulfonic acid
  • NSC696562
  • AIDS-097026
  • AIDS097026
  • N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0223 0.4122 0.3919
Loa Loa (eye worm) hypothetical protein 0.0034 0.0175 0.0175
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0039 0.0286 0.0693
Schistosoma mansoni nAChR subunit 0.0039 0.0286 0.0693
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0223 0.4122 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.1958 0.1958
Brugia malayi steroid hormone receptor 0.0054 0.0597 0.0597
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0039 0.0286 0.0286
Brugia malayi ecdysteroid receptor 0.0054 0.0597 0.0597
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0054 0.0597 0.1447
Brugia malayi S-adenosyl-methionine cycloartenol-C24-methyltransferase 0.0095 0.1446 0.1446
Loa Loa (eye worm) steroid hormone receptor 0.0054 0.0597 0.0597
Loa Loa (eye worm) hypothetical protein 0.0054 0.0597 0.0597
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.0042 0.0335 0.0813
Loa Loa (eye worm) hypothetical protein 0.0041 0.0319 0.0319
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0054 0.0597 0.0597
Loa Loa (eye worm) hypothetical protein 0.0504 1 1
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0504 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0054 0.0597 0.1447
Loa Loa (eye worm) hypothetical protein 0.0124 0.2053 0.2053
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0194 0.3529 0.3304
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0054 0.0597 0.0597
Echinococcus granulosus geminin 0.0174 0.3101 0.7522
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0039 0.0286 0.0286
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0042 0.0335 0.0813
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0504 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0054 0.0597 0.1447
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0054 0.0597 0.1447
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0039 0.0286 0.0286
Brugia malayi Cation transporter family protein 0.0039 0.0286 0.0286
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0054 0.0597 0.0597
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0039 0.0286 0.0286
Brugia malayi nuclear hormone receptor 0.0054 0.0597 0.0597
Echinococcus multilocularis synaptic glycoprotein sc2 0.0223 0.4122 1
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0223 0.4122 0.3919
Loa Loa (eye worm) hypothetical protein 0.0029 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0054 0.0597 0.0597
Schistosoma mansoni integrin alpha-ps 0.0071 0.0944 0.2289
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0223 0.4122 0.3919
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0286
Brugia malayi photoreceptor-specific nuclear receptor 0.0054 0.0597 0.0597
Trypanosoma brucei lanosterol synthase 0.0304 0.5808 0.5662
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0039 0.0286 0.0286
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0737 0.1789
Brugia malayi follicle stimulating hormone receptor 0.0232 0.4313 0.4313
Loa Loa (eye worm) hypothetical protein 0.0029 0.0064 0.0064
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0054 0.0597 0.1447
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0054 0.0597 0.0597
Brugia malayi Nuclear hormone receptor-like 1 0.0029 0.0064 0.0064
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0737 0.1789
Mycobacterium ulcerans hypothetical protein 0.0504 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0054 0.0597 0.1447
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0039 0.0286 0.0693
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0286
Echinococcus granulosus glycine receptor subunit beta 0.0039 0.0286 0.0693
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0042 0.0335 0.0335
Brugia malayi Bromodomain containing protein 0.0038 0.0268 0.0268
Onchocerca volvulus 0.0039 0.0286 0.0693
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0168 0.2977 0.4825
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0054 0.0597 0.0597
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0039 0.0286 0.0286
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0054 0.0597 0.0597
Schistosoma mansoni nAChR subunit 0.0039 0.0286 0.0693
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0054 0.0597 0.1447
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0054 0.0597 0.1447
Loa Loa (eye worm) hypothetical protein 0.0029 0.0064 0.0064
Echinococcus granulosus glycine receptor subunit alpha 1 0.0039 0.0286 0.0693
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0039 0.0286 0.0693
Loa Loa (eye worm) hypothetical protein 0.0037 0.0236 0.0236
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0054 0.0597 0.1447
Brugia malayi hypothetical protein 0.0029 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0286
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0039 0.0286 0.0286
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0286
Onchocerca volvulus 0.0039 0.0286 0.0693
Loa Loa (eye worm) hypothetical protein 0.0054 0.0597 0.0597
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0042 0.0335 0.0813
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0223 0.4122 1
Onchocerca volvulus Bile acid receptor homolog 0.0054 0.0597 0.1447
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0054 0.0597 0.0597
Mycobacterium ulcerans short chain dehydrogenase 0.0283 0.5379 0.5011
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0737 0.1789
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0054 0.0597 0.1447
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0223 0.4122 1
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0223 0.4122 0.3919
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0039 0.0286 0.0286
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0039 0.0286 0.0286
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0039 0.0286 0.0693
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0039 0.0286 0.0693
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0054 0.0597 0.0597
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0054 0.0597 0.0597
Brugia malayi nuclear receptor RXR 0.0029 0.0064 0.0064
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0039 0.0286 0.0693
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0039 0.0286 0.0286
Echinococcus granulosus integrin alpha ps 0.0071 0.0944 0.2289
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0223 0.4122 0.3919
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0039 0.0286 0.0693
Brugia malayi Synaptic glycoprotein SC2 0.0223 0.4122 0.4122
Loa Loa (eye worm) hypothetical protein 0.0054 0.0597 0.0597
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0054 0.0597 0.0597
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0716 0.1737
Schistosoma mansoni integrin alpha 0.0158 0.276 0.6696
Echinococcus granulosus nAChR subunit 0.0039 0.0286 0.0693
Onchocerca volvulus 0.0039 0.0286 0.0693
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0054 0.0597 0.0597
Brugia malayi Protein kinase domain containing protein 0.05 0.9905 0.9905
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0029 0.0064 0.0155
Loa Loa (eye worm) integrin alpha pat-2 0.0243 0.4544 0.4544
Schistosoma mansoni nAChR subunit 0.0039 0.0286 0.0693
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0101 0.1585 0.1294
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0223 0.4122 0.3919
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0054 0.0597 0.1447
Brugia malayi Nuclear hormone receptor-like 1 0.0029 0.0064 0.0064
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0504 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0335 0.0335
Echinococcus multilocularis glycine receptor subunit beta 0.0039 0.0286 0.0693
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0194 0.3529 0.3304
Schistosoma mansoni integrin alpha-ps 0.0037 0.0236 0.0572
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0039 0.0286 0.0693
Echinococcus granulosus integrin alpha ps 0.0034 0.0175 0.0424
Loa Loa (eye worm) hypothetical protein 0.0029 0.0064 0.0064
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0054 0.0597 0.1447
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0286
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0029 0.0064 0.0064
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0039 0.0286 0.0693
Brugia malayi Steroid receptor seven-up type 2 0.0054 0.0597 0.0597
Brugia malayi Cation transporter family protein 0.0039 0.0286 0.0286
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0039 0.0286 0.0286
Mycobacterium tuberculosis Probable oxidoreductase 0.0283 0.5379 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0359 0.0359
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.0042 0.0335 0.0335
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0039 0.0286 0.0286
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0219 0.0531
Loa Loa (eye worm) LGC-31 protein 0.0039 0.0286 0.0286
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0029 0.0064 0.0155
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0042 0.0335 0.0813
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0039 0.0286 0.0286
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0054 0.0597 0.0597
Loa Loa (eye worm) hypothetical protein 0.0054 0.0597 0.0597
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0737 0.0416
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0286
Brugia malayi Nuclear hormone receptor-like 1 0.0054 0.0597 0.0597
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0286
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0286
Onchocerca volvulus 0.0039 0.0286 0.0693
Brugia malayi hypothetical protein 0.0029 0.0064 0.0064
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0223 0.4122 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0054 0.0597 0.1447
Loa Loa (eye worm) camk/mapkapk/mnk protein kinase 0.05 0.9905 0.9905
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0219 0.0531
Onchocerca volvulus 0.0039 0.0286 0.0693
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0223 0.4122 0.3919
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0039 0.0286 0.0286
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0286
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0054 0.0597 0.1447
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0039 0.0286 0.0693
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0232 0.4313 0.4313
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0039 0.0286 0.0286
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0286
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0194 0.3529 0.3304
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0039 0.0286 0.0693
Echinococcus granulosus glycine receptor subunit beta 0.0039 0.0286 0.0693
Loa Loa (eye worm) hypothetical protein 0.0054 0.0597 0.0597
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0194 0.3529 0.3304
Echinococcus multilocularis thyroid hormone receptor alpha 0.0054 0.0597 0.1447
Echinococcus multilocularis FTZ F1 alpha 0.0054 0.0597 0.1447
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0039 0.0286 0.0693
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0054 0.0597 0.0597
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0223 0.4122 1
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0039 0.0286 0.0286
Echinococcus multilocularis integrin alpha ps 0.0071 0.0944 0.2289
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0039 0.0286 0.0693
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0286
Echinococcus granulosus synaptic glycoprotein sc2 0.0223 0.4122 1
Onchocerca volvulus Putative nachr subunit 0.0039 0.0286 0.0693
Schistosoma mansoni nAChR subunit 0.0039 0.0286 0.0693
Trypanosoma brucei Sterol methyltransferase, putative 0.0194 0.3529 0.3304
Schistosoma mansoni nAChR subunit 0.0039 0.0286 0.0693
Echinococcus multilocularis nAChR subunit 0.0039 0.0286 0.0693
Onchocerca volvulus 0.0039 0.0286 0.0693
Loa Loa (eye worm) hypothetical protein 0.0223 0.4122 0.4122
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0286
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0504 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0054 0.0597 0.1447
Onchocerca volvulus 0.0223 0.4122 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0039 0.0286 0.0693
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0039 0.0286 0.0693
Echinococcus multilocularis integrin alpha ps 0.0034 0.0175 0.0424
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0054 0.0597 0.0597
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0504 1 1
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0194 0.3529 0.3304
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0223 0.4122 0.3919
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0716 0.1737
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0054 0.0597 0.1447
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0054 0.0597 0.0597
Echinococcus multilocularis ecdysone induced protein 78C 0.0054 0.0597 0.1447
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0054 0.0597 0.0597
Loa Loa (eye worm) hypothetical protein 0.0054 0.0597 0.0597
Schistosoma mansoni RAR-like nuclear receptor 0.0054 0.0597 0.1447
Schistosoma mansoni nAChR subunit 0.0039 0.0286 0.0693
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0054 0.0597 0.1447
Loa Loa (eye worm) hypothetical protein 0.0029 0.0064 0.0064
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0039 0.0286 0.0693
Echinococcus multilocularis geminin 0.0174 0.3101 0.7522
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0286
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0054 0.0597 0.1447
Loa Loa (eye worm) hypothetical protein 0.0223 0.4122 0.4122
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0039 0.0286 0.0693
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0039 0.0286 0.0286
Schistosoma mansoni thyroid hormone receptor 0.0054 0.0597 0.1447
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0737 0.0416
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0054 0.0597 0.0597
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0737 0.1789
Schistosoma mansoni bromodomain containing protein 0.0063 0.0791 0.1919
Brugia malayi Integrin alpha pat-2 precursor 0.0158 0.276 0.276
Schistosoma mansoni hypothetical protein 0.0174 0.3101 0.7522
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0039 0.0286 0.0693
Entamoeba histolytica hypothetical protein 0.0223 0.4122 0.3919
Leishmania major lanosterol synthase, putative 0.0262 0.494 0.4764
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0042 0.0335 0.0335
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0039 0.0286 0.0286
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0223 0.4122 1
Schistosoma mansoni coup transcription factor 0.0054 0.0597 0.1447
Schistosoma mansoni steroid hormone receptor ad4bp 0.0054 0.0597 0.1447
Leishmania major sterol 24-c-methyltransferase, putative 0.0194 0.3529 0.3304
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0504 1 1
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0042 0.0335 0.0335
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0504 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.027 0.027
Onchocerca volvulus 0.0054 0.0597 0.1447
Schistosoma mansoni nAChR subunit 0.0039 0.0286 0.0693
Echinococcus granulosus glycine receptor subunit alpha 1 0.0039 0.0286 0.0693
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0504 1 1
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0042 0.0335 0.0335
Schistosoma mansoni nuclear hormone receptor 0.0054 0.0597 0.1447
Trichomonas vaginalis conserved hypothetical protein 0.0223 0.4122 0.3919
Schistosoma mansoni retinoic acid receptor RXR 0.0054 0.0597 0.1447
Plasmodium falciparum polyprenol reductase, putative 0.0223 0.4122 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0039 0.0286 0.0286
Trichomonas vaginalis conserved hypothetical protein 0.0223 0.4122 0.3919
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0286
Echinococcus granulosus FTZ F1 alpha 0.0054 0.0597 0.1447
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0286
Brugia malayi Bromodomain containing protein 0.0075 0.1036 0.1036
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0223 0.4122 0.3919
Trypanosoma cruzi lanosterol synthase, putative 0.0304 0.5808 0.5662
Loa Loa (eye worm) hypothetical protein 0.0095 0.1446 0.1446
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0039 0.0286 0.0286
Schistosoma mansoni thyroid hormone receptor 0.0054 0.0597 0.1447
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0286
Brugia malayi Cation transporter family protein 0.0039 0.0286 0.0286
Brugia malayi excitatory GABA receptor EXP-1A 0.0039 0.0286 0.0286
Schistosoma mansoni hypothetical protein 0.0174 0.3101 0.7522
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0039 0.0286 0.0693
Loa Loa (eye worm) hypothetical protein 0.0071 0.0947 0.0947
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0119 0.1958 0.1958
Echinococcus multilocularis glycine receptor subunit beta 0.0039 0.0286 0.0693
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0039 0.0286 0.0693
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0286
Echinococcus granulosus glycine receptor subunit alpha 1 0.0039 0.0286 0.0693
Schistosoma mansoni hypothetical protein 0.0034 0.0175 0.0424
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0054 0.0597 0.1447
Echinococcus multilocularis integrin alpha 3 0.0121 0.1992 0.4831
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0504 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0029 0.0064 0.0155
Loa Loa (eye worm) hypothetical protein 0.0042 0.0335 0.0335
Brugia malayi nuclear receptor NHR-88 0.0054 0.0597 0.0597
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0054 0.0597 0.1447
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0286
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0039 0.0286 0.0693
Giardia lamblia Synaptic glycoprotein SC2 0.0223 0.4122 1
Echinococcus multilocularis integrin alpha ps 0.0071 0.0944 0.2289
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0042 0.0335 0.0813
Loa Loa (eye worm) ACC-1 protein 0.0039 0.0286 0.0286
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0042 0.0335 0.0813
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0054 0.0597 0.0597
Loa Loa (eye worm) ACC-1 protein 0.0039 0.0286 0.0286
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0054 0.0597 0.1447
Loa Loa (eye worm) hypothetical protein 0.0054 0.0597 0.0597
Loa Loa (eye worm) hypothetical protein 0.0087 0.1284 0.1284
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.0042 0.0335 0.0813
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0054 0.0597 0.0597
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0054 0.0597 0.0597
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0039 0.0286 0.0693
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0042 0.0335 0.0813
Leishmania major sterol 24-c-methyltransferase, putative 0.0194 0.3529 0.3304
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0042 0.0335 0.0813
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0223 0.4122 0.3919
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0039 0.0286 0.0693
Trypanosoma cruzi lanosterol synthase, putative 0.0304 0.5808 0.5662
Loa Loa (eye worm) hypothetical protein 0.0039 0.0286 0.0286
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0054 0.0597 0.1447
Plasmodium vivax polyprenol reductase, putative 0.0223 0.4122 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0029 0.0064 0.0155
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0039 0.0286 0.0693
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0039 0.0286 0.0286
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0039 0.0286 0.0286
Echinococcus granulosus integrin alpha 3 0.0121 0.1992 0.4831

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -7.578 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
Inhibition (binding) = 18 % Inhibition of Folyl-polyglutamate synthase from mouse liver ChEMBL. 3385729
Inhibition (binding) = 18 % Inhibition of Folyl-polyglutamate synthase from mouse liver ChEMBL. 3385729

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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