Detailed information for compound 421875

Basic information

Technical information
  • TDR Targets ID: 421875
  • Name: N-(3-morpholin-4-ylpropyl)-4-oxo-2-sulfanylid ene-3-[3-(trifluoromethyl)phenyl]-1H-quinazol ine-7-carboxamide
  • MW: 492.514 | Formula: C23H23F3N4O3S
  • H donors: 2 H acceptors: 2 LogP: 2.97 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(c1)[nH]c(=S)n(c2=O)c1cccc(c1)C(F)(F)F)NCCCN1CCOCC1
  • InChi: 1S/C23H23F3N4O3S/c24-23(25,26)16-3-1-4-17(14-16)30-21(32)18-6-5-15(13-19(18)28-22(30)34)20(31)27-7-2-8-29-9-11-33-12-10-29/h1,3-6,13-14H,2,7-12H2,(H,27,31)(H,28,34)
  • InChiKey: YLZGBMMKWPYLMH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-morpholinopropyl)-4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide
  • 4-keto-N-(3-morpholinopropyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide
  • ChemDiv1_012585

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
Leishmania major hypothetical protein, conserved 0.0025 0.0269 0.0456
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0884 0.1375
Onchocerca volvulus 0.0043 0.0812 0.1919
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0025 0.0285 0.044
Schistosoma mansoni sodium/chloride dependent transporter 0.0025 0.0285 0.024
Onchocerca volvulus 0.015 0.404 1
Brugia malayi Trypsin family protein 0.0102 0.2601 0.4053
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0408 0.0633
Entamoeba histolytica DNA repair and recombination protein, putative 0.018 0.4945 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0591 1
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0748 0.1368
Schistosoma mansoni hypothetical protein 0.0032 0.0487 0.0444
Echinococcus multilocularis chromobox protein 1 0.0068 0.1558 0.1583
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0591 0.0548
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0408 0.038
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.1137 0.1143
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0186 0.5124 0.5317
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.018 0.4945 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0119 0.3099 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0025 0.0285 0.0251
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0408 0.0633
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0576 0.1015
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.6414 0.6668
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0026 0.0308 0.481
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0576 0.1859
Loa Loa (eye worm) norepinephrine transporter 0.015 0.404 0.6272
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0102 0.2601 0.2567
Brugia malayi beta-lactamase family protein 0.0036 0.0591 0.0918
Mycobacterium leprae Probable lipase LipE 0.0036 0.0591 0.9389
Entamoeba histolytica hypothetical protein 0.0036 0.0591 0.1045
Entamoeba histolytica hypothetical protein 0.0036 0.0591 0.1045
Trypanosoma brucei glucosidase, putative 0.0035 0.0576 0.1015
Toxoplasma gondii ABC1 family protein 0.0036 0.0591 0.1908
Plasmodium falciparum transporter, putative 0.0025 0.0285 1
Schistosoma mansoni alpha glucosidase 0.0035 0.0576 0.0533
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0025 0.0285 0.0251
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0102 0.2601 0.2567
Loa Loa (eye worm) hypothetical protein 0.003 0.0408 0.0569
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0408 0.0633
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.018 0.4945 1
Echinococcus multilocularis chromobox protein 1 0.0068 0.1558 0.1583
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0591 0.0548
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0025 0.0261 0.0331
Loa Loa (eye worm) hypothetical protein 0.0032 0.0487 0.0694
Schistosoma mansoni sodium/chloride dependent transporter 0.0025 0.0285 0.024
Loa Loa (eye worm) fatty acid synthase 0.0024 0.0251 0.0323
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0408 0.0569
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0025 0.0261 0.0331
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0576 0.1082
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0576 0.0894
Loa Loa (eye worm) hypothetical protein 0.0102 0.2601 0.4013
Echinococcus granulosus dna polymerase eta 0.0019 0.0083 0.0039
Toxoplasma gondii hypothetical protein 0.0025 0.0285 0.092
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0083 0.0237
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0591 0.1046
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0269 0.9336
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0025 0.0285 0.024
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0037 0.0629 0.0913
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.018 0.4945 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0408 0.038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0408 0.0569
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0308 0.0965
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0576 0.1015
Echinococcus multilocularis GPCR, family 2 0.0032 0.0487 0.0463
Schistosoma mansoni hypothetical protein 0.0036 0.0591 0.0547
Mycobacterium ulcerans polyketide synthase 0.0025 0.0261 0.0815
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.094 0.0898
Loa Loa (eye worm) hypothetical protein 0.0069 0.1613 0.2461
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0261 0.0815
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.018 0.4945 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0408 0.0633
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0308 0.0404
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.4288 0.6685
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0408 0.0364
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.018 0.4945 0.5131
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0619 0.1103
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0408 0.0364
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0083 0.0237
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0591 0.0571
Onchocerca volvulus 0.0047 0.0924 0.2199
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0884 0.0842
Onchocerca volvulus 0.0049 0.0993 0.237
Loa Loa (eye worm) hypothetical protein 0.003 0.0408 0.0569
Brugia malayi mbt repeat family protein 0.0047 0.094 0.1462
Toxoplasma gondii type I fatty acid synthase, putative 0.0018 0.0047 0.0151
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.094 0.0898
Mycobacterium tuberculosis Conserved protein 0.0036 0.0591 0.0853
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0024 0.0238 0.0295
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0285 0.4388
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0591 0.0918
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0576 0.1015
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0591 0.1883
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0025 0.0285 0.024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0884 0.0842
Loa Loa (eye worm) hypothetical protein 0.0025 0.0285 0.0376
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.018 0.4945 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0591 0.1046
Brugia malayi steroid hormone receptor 0.003 0.0408 0.0633
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0993 0.0951
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0591 0.1113
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0025 0.0285 0.024
Loa Loa (eye worm) hypothetical protein 0.0036 0.0591 0.0857
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0408 0.0633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0261 0.0815
Mycobacterium ulcerans polyketide synthase 0.0026 0.0308 0.0965
Echinococcus granulosus dna polymerase kappa 0.0019 0.0083 0.0039
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.094 0.1404
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0576 0.1015
Onchocerca volvulus 0.003 0.0414 0.0922
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0083 0.0039
Loa Loa (eye worm) hypothetical protein 0.015 0.404 0.6272
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0026 0.0308 0.481
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0026 0.0308 0.0404
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0327 0.0503
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0487 0.0756
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0269 0.0456
Onchocerca volvulus 0.0025 0.0285 0.0599
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.0212 0.0262
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0408 0.0364
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.018 0.4945 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.4288 0.6662
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0119 0.3099 0.4817
Schistosoma mansoni chromobox protein 0.0068 0.1558 0.1519
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0408 0.038
Schistosoma mansoni hypothetical protein 0.018 0.4945 0.4922
Schistosoma mansoni hypothetical protein 0.0032 0.0487 0.0444
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.1137 0.1143
Echinococcus multilocularis dna polymerase eta 0.0019 0.0083 0.0039
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0619 0.1103
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.4288 0.4443
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0261 0.0815
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0591 0.0547
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0619 0.1998
Brugia malayi hypothetical protein 0.0228 0.6414 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0408 0.0569
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0576 0.1015
Toxoplasma gondii hypothetical protein 0.0025 0.0285 0.092
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0408 0.0908
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0408 0.0633
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0591 0.057
Schistosoma mansoni inositol monophosphatase 0.0036 0.0619 0.0576
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.094 0.2239
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0408 0.0569
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0408 0.038
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0025 0.0285 0.092
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.1558 0.2374
Schistosoma mansoni hypothetical protein 0.0069 0.1613 0.1575
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.1137 0.1769
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0269 0.0384
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0025 0.0285 0.044
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.1137 0.1143
Echinococcus multilocularis tumor protein p63 0.0334 0.9595 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0083 0.0124
Echinococcus multilocularis sodium and chloride dependent glycine 0.0025 0.0285 0.0251
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0591 0.0853
Schistosoma mansoni DNA polymerase eta 0.0019 0.0083 0.0037
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0408 0.0569
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0269 0.0869
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.2583 0.4025
Mycobacterium tuberculosis Probable thioesterase TesA 0.0021 0.0137 0.0135
Loa Loa (eye worm) hypothetical protein 0.003 0.0408 0.0569
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0083 0.0037
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.6378 1
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0408 0.038
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0047 0.0927 0.1442
Entamoeba histolytica hypothetical protein 0.0036 0.0591 0.1045
Brugia malayi mbt repeat family protein 0.0047 0.094 0.1462
Loa Loa (eye worm) hypothetical protein 0.0025 0.0269 0.0351
Loa Loa (eye worm) hypothetical protein 0.0036 0.0591 0.0857
Brugia malayi chromobox protein homolog 3 0.0038 0.0661 0.1027
Echinococcus granulosus FTZ F1 alpha 0.003 0.0408 0.038
Entamoeba histolytica hypothetical protein, conserved 0.018 0.4945 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.1137 0.1096
Mycobacterium ulcerans polyketide synthase Pks13 0.0037 0.0629 0.2006
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0619 0.1103
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0576 0.1082
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0408 0.038
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0619 0.5
Loa Loa (eye worm) hypothetical protein 0.0228 0.6414 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0083 0.0058
Loa Loa (eye worm) hypothetical protein 0.0102 0.2583 0.3985
Mycobacterium leprae Probable polyketide synthase Pks1 0.0026 0.0308 0.481
Onchocerca volvulus 0.0036 0.0591 0.1366
Trichomonas vaginalis esterase, putative 0.0036 0.0591 0.1046
Schistosoma mansoni alpha-glucosidase 0.0136 0.3624 0.3595
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.1613 0.2512
Echinococcus granulosus sodium and chloride dependent glycine 0.0025 0.0285 0.0251
Schistosoma mansoni aldehyde dehydrogenase 0.0119 0.3099 0.3067
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0884 0.0878
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0619 0.117
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0025 0.0285 0.0251
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0884 0.0842
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0083 0.0124
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0083 0.0075
Echinococcus granulosus geminin 0.017 0.4649 0.4821
Onchocerca volvulus 0.0025 0.0285 0.0599
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0408 0.0633
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0408 0.038
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0487 0.0463
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0025 0.0285 0.0251
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0025 0.0285 0.024
Loa Loa (eye worm) MBCTL1 0.0054 0.1137 0.1714
Brugia malayi hypothetical protein 0.0036 0.0591 0.0917
Brugia malayi nuclear receptor NHR-88 0.003 0.0408 0.0633
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.4288 0.4443
Loa Loa (eye worm) serotonin transporter b 0.015 0.404 0.6272
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0408 0.0633
Schistosoma mansoni hypothetical protein 0.0047 0.0924 0.0882
Echinococcus multilocularis geminin 0.017 0.4649 0.4821
Loa Loa (eye worm) hypothetical protein 0.0036 0.0591 0.0857
Brugia malayi Heterochromatin protein 1 0.0068 0.1558 0.2425
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0576 0.1082
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0408 0.0633
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0591 0.0853
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0025 0.0261 0.0403
Loa Loa (eye worm) hypothetical protein 0.0025 0.0285 0.0376
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0261 0.0815
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0119 0.3099 0.3197
Loa Loa (eye worm) hypothetical protein 0.0102 0.2601 0.4013
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0025 0.0285 0.044
Loa Loa (eye worm) hypothetical protein 0.0036 0.0591 0.0857
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0591 0.1046
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0083 0.0075
Onchocerca volvulus 0.0047 0.094 0.2239
Echinococcus granulosus sodium and chloride dependent glycine 0.0025 0.0285 0.0251
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.018 0.4945 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0186 0.5124 0.5317
Brugia malayi Kringle domain containing protein 0.0018 0.0046 0.0067
Schistosoma mansoni hypothetical protein 0.017 0.4649 0.4625
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0504 0.0714
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0408 0.0908
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0408 0.0633
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0619 0.1973
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0591 0.0571
Loa Loa (eye worm) hypothetical protein 0.0025 0.0285 0.0376
Trichomonas vaginalis chromobox protein, putative 0.0068 0.1558 0.3033
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0083 0.0049
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0487 0.0756
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0408 0.0569
Mycobacterium ulcerans lipase LipD 0.0036 0.0591 0.1883
Schistosoma mansoni sodium/chloride dependent transporter 0.015 0.404 0.4012
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0591 0.0857
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.094 0.0937
Toxoplasma gondii kringle domain-containing protein 0.0018 0.0046 0.0148
Brugia malayi Inositol-1 0.0036 0.0619 0.0961
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0576 0.1015
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0025 0.0285 0.024
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0591 0.0853
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0025 0.0285 0.024
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0408 0.038
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0037 0.0629 0.0913
Loa Loa (eye worm) hypothetical protein 0.003 0.0408 0.0569
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0408 0.0633
Loa Loa (eye worm) hypothetical protein 0.0025 0.0285 0.0376
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0884 0.0878
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.2583 0.4025
Trichomonas vaginalis conserved hypothetical protein 0.018 0.4945 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0661 0.119
Loa Loa (eye worm) inositol-1 0.0036 0.0619 0.09
Echinococcus multilocularis sodium and chloride dependent glycine 0.0025 0.0285 0.0251
Mycobacterium ulcerans thioesterase TesA 0.0021 0.0137 0.0414
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0408 0.038
Schistosoma mansoni hypothetical protein 0.017 0.4649 0.4625
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.2583 0.3985
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0576 0.0833
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0025 0.0285 0.5
Mycobacterium ulcerans thioesterase 0.0021 0.0137 0.0414
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0269 0.9336
Echinococcus granulosus GPCR family 2 0.0032 0.0487 0.0463
Mycobacterium tuberculosis Conserved protein 0.0036 0.0591 0.0853
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0884 0.0878
Mycobacterium ulcerans aldehyde dehydrogenase 0.0119 0.3099 1
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0025 0.0285 0.0251
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0025 0.0285 0.092
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.002 0.0116 0.172
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0025 0.0285 0.092
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0619 0.1103
Brugia malayi hypothetical protein 0.0025 0.0269 0.0416
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0661 0.1541
Loa Loa (eye worm) hypothetical protein 0.0025 0.0285 0.0376
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0408 0.0633
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0212 0.0327
Loa Loa (eye worm) hypothetical protein 0.0036 0.0591 0.0857
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0748 0.1368
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0408 0.038
Mycobacterium tuberculosis Conserved protein 0.0036 0.0591 0.0853
Brugia malayi Sodium:neurotransmitter symporter family protein 0.015 0.404 0.6297
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0026 0.0308 0.0404
Giardia lamblia Rrm3p helicase 0.018 0.4945 1
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0408 0.038
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0408 0.0569
Loa Loa (eye worm) hypothetical protein 0.015 0.404 0.6272
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0408 0.038
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0021 0.0137 0.2064
Loa Loa (eye worm) hypothetical protein 0.015 0.404 0.6272
Echinococcus granulosus chromobox protein 1 0.0068 0.1558 0.1583
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0576 0.1015
Schistosoma mansoni hypothetical protein 0.0032 0.0487 0.0444
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0408 0.038
Toxoplasma gondii aldehyde dehydrogenase 0.0119 0.3099 1
Brugia malayi hypothetical protein 0.0025 0.0285 0.044
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0119 0.3099 0.3197
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0025 0.0285 0.0251
Loa Loa (eye worm) hypothetical protein 0.003 0.0408 0.0569
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0408 0.0633
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0408 0.0633
Loa Loa (eye worm) hypothetical protein 0.0038 0.0661 0.0966
Loa Loa (eye worm) hypothetical protein 0.0049 0.0993 0.1487
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0083 0.0037
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0327 0.0503
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0025 0.0261 0.4065
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.1137 0.1143
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0748 0.1758
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0619 0.117
Schistosoma mansoni survival motor neuron protein 0.0047 0.0924 0.0882
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0591 0.1113
Mycobacterium ulcerans hypothetical protein 0.0036 0.0591 0.1883
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0408 0.0364
Trichomonas vaginalis chromobox protein, putative 0.0068 0.1558 0.3033
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.002 0.0116 0.0345
Loa Loa (eye worm) hypothetical protein 0.003 0.0414 0.0578
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0408 0.038
Loa Loa (eye worm) hypothetical protein 0.003 0.0408 0.0569
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0083 0.0075
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0591 0.0853
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0083 0.0039
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0619 0.117
Plasmodium falciparum amino acid transporter, putative 0.0025 0.0285 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.094 0.0898
Schistosoma mansoni hypothetical protein 0.0032 0.0487 0.0444
Schistosoma mansoni thyroid hormone receptor 0.003 0.0408 0.0364
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0487 0.0463
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0408 0.0364
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0504 0.7975
Mycobacterium ulcerans aldehyde dehydrogenase 0.0119 0.3099 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0026 0.0308 0.0992
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0619 0.06
Loa Loa (eye worm) hypothetical protein 0.0054 0.1137 0.1714
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.4288 0.4443
Onchocerca volvulus Fatty acid synthase homolog 0.0044 0.0858 0.2034
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.0212 0.0254
Schistosoma mansoni aldehyde dehydrogenase 0.0119 0.3099 0.3067
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0619 0.06
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0083 0.0075
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.094 0.0937
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0591 0.1883
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0591 0.057
Echinococcus granulosus serotonin transporter 0.015 0.404 0.4182
Loa Loa (eye worm) hypothetical protein 0.003 0.0408 0.0569
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0408 0.038
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.094 0.0937
Loa Loa (eye worm) solute carrier family 6 member 4 0.015 0.404 0.6272
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0408 0.0569
Onchocerca volvulus 0.0025 0.0285 0.0599
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0083 0.0075
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0619 0.1103
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0591 0.1046
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0025 0.0285 0.0251
Loa Loa (eye worm) beta-lactamase 0.0036 0.0591 0.0857
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0576 0.1015
Leishmania major DNA polymerase eta, putative 0.0019 0.0083 0.0075
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0591 0.1046
Onchocerca volvulus 0.0036 0.0591 0.1366
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0408 0.0364
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0408 0.0633
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.094 0.0937
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0025 0.0285 0.024
Brugia malayi beta-lactamase 0.0036 0.0591 0.0918
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0269 0.4096
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0025 0.0261 0.4065
Loa Loa (eye worm) hypothetical protein 0.0036 0.0591 0.0857
Leishmania major hypothetical protein, conserved 0.0036 0.0591 0.1113
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0591 0.1046
Onchocerca volvulus 0.003 0.0408 0.0908
Mycobacterium leprae Polyketide synthase Pks13 0.0037 0.0629 1
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0591 0.9389
Treponema pallidum sodium- and chloride- dependent transporter 0.015 0.404 0.5
Echinococcus multilocularis serotonin transporter 0.015 0.404 0.4182
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0083 0.0039
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0025 0.0285 0.0376
Onchocerca volvulus 0.0091 0.2277 0.5586
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0576 0.1015
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0576 0.0555
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0119 0.3099 0.6232
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0924 0.1437
Schistosoma mansoni hypothetical protein 0.0286 0.8166 0.8158
Loa Loa (eye worm) hypothetical protein 0.0025 0.0285 0.0376
Onchocerca volvulus 0.0036 0.0591 0.1366
Plasmodium vivax amine transporter, putative 0.0025 0.0285 0.4388
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.6414 0.6668
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0269 0.0456
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0408 0.038
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0025 0.0285 0.0376
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0576 0.1015
Schistosoma mansoni inositol monophosphatase 0.0036 0.0619 0.0576
Onchocerca volvulus 0.0102 0.2601 0.6398
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.002 0.0116 0.0345
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0591 0.0853
Loa Loa (eye worm) hypothetical protein 0.0047 0.094 0.1404
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.0308 0.0965
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0487 0.0463
Schistosoma mansoni alpha-glucosidase 0.0136 0.3624 0.3595
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0576 0.1015
Brugia malayi nuclear hormone receptor 0.003 0.0408 0.0633
Loa Loa (eye worm) hypothetical protein 0.0025 0.0285 0.0376
Leishmania major DNA polymerase kappa, putative 0.0019 0.0083 0.0075
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0083 0.0049
Mycobacterium ulcerans beta-lactamase 0.0036 0.0591 0.1883
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0408 0.0364
Brugia malayi Protein kinase domain containing protein 0.0018 0.0046 0.0067
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0408 0.038
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.015 0.404 0.4012
Echinococcus granulosus tumor protein p63 0.0334 0.9595 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0408 0.0908
Onchocerca volvulus 0.0088 0.2159 0.5291
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0408 0.0633
Onchocerca volvulus 0.0023 0.0212 0.0417
Schistosoma mansoni chromobox protein 0.0068 0.1558 0.1519
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0025 0.0285 0.024
Schistosoma mansoni thyroid hormone receptor 0.003 0.0408 0.0364
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0083 0.0058
Brugia malayi ecdysteroid receptor 0.003 0.0408 0.0633
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0024 0.0238 0.0295
Schistosoma mansoni sodium-dependent amino acid transporter 0.0025 0.0285 0.024
Echinococcus granulosus chromobox protein 1 0.0068 0.1558 0.1583
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0083 0.0075
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0661 0.119
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0591 0.0853
Loa Loa (eye worm) hypothetical protein 0.0041 0.0767 0.1133
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0261 0.0331
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0591 0.0853
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0884 0.0878
Schistosoma mansoni coup transcription factor 0.003 0.0408 0.0364
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0884 0.1317
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.018 0.4945 0.5131
Schistosoma mansoni nuclear hormone receptor 0.003 0.0408 0.0364
Loa Loa (eye worm) hypothetical protein 0.003 0.0408 0.0569
Brugia malayi beta-lactamase family protein 0.0036 0.0591 0.0918
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.002 0.0126 0.0117
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0025 0.0285 0.044
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0487 0.0694
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0408 0.0364
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0408 0.0364
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0487 0.0463
Entamoeba histolytica hypothetical protein 0.0036 0.0591 0.1045
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0576 0.0555

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 15.9 % Inhibition of alpha1H T-type calcium channel Cav3.2 expressed in Xenopus unfertilized oocytes at 100 uM by two-electrode voltage clamp method ChEMBL. 17074493
Inhibition (binding) = 15.9 % Inhibition of alpha1H T-type calcium channel Cav3.2 expressed in Xenopus unfertilized oocytes at 100 uM by two-electrode voltage clamp method ChEMBL. 17074493

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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