Detailed information for compound 801671

Basic information

Technical information
  • TDR Targets ID: 801671
  • Name: 6,7-dimethoxy-4-(3-propan-2-yloxypropylamino) -1H-quinazoline-2-thione
  • MW: 337.437 | Formula: C16H23N3O3S
  • H donors: 1 H acceptors: 2 LogP: 3.29 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(NCCCOC(C)C)nc(nc2cc1OC)S
  • InChi: 1S/C16H23N3O3S/c1-10(2)22-7-5-6-17-15-11-8-13(20-3)14(21-4)9-12(11)18-16(23)19-15/h8-10H,5-7H2,1-4H3,(H2,17,18,19,23)
  • InChiKey: RISFOMJSISKMNZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(3-isopropoxypropylamino)-6,7-dimethoxy-1H-quinazoline-2-thione
  • MLS000520260
  • SMR000130673

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0077 0.0671 0.0634
Brugia malayi beta-lactamase family protein 0.0038 0.0266 0.0277
Schistosoma mansoni pyruvate kinase 0.0033 0.0215 0.0333
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0035 0.0037
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0044 0.0327 0.0327
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0077 0.0671 0.1876
Loa Loa (eye worm) glutaminase 0.033 0.3287 0.3422
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0034 0.0227 0.0169
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0266 0.0413
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0048 0.0373 0.0953
Loa Loa (eye worm) inositol-1 0.0077 0.0671 0.0698
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0227 0.0169
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0266 0.0836
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0232 0.0242
Schistosoma mansoni ran 0.0044 0.0327 0.0507
Brugia malayi Thioredoxin reductase 0.0099 0.0894 0.0931
Plasmodium falciparum importin beta, putative 0.006 0.049 0.5214
Echinococcus granulosus peregrin 0.0029 0.017 0.0263
Echinococcus multilocularis thioredoxin glutathione reductase 0.0099 0.0894 0.0894
Echinococcus granulosus pyruvate kinase 0.0033 0.0215 0.0333
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0048 0.0373 0.0953
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0215 0.0462
Brugia malayi beta-lactamase family protein 0.0038 0.0266 0.0277
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0384 0.0399
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0066 0.0066
Brugia malayi jmjC domain containing protein 0.0094 0.0843 0.0878
Echinococcus multilocularis importin subunit beta 1 0.006 0.049 0.049
Brugia malayi follicle stimulating hormone receptor 0.0227 0.2225 0.2316
Trichomonas vaginalis esterase, putative 0.0038 0.0266 0.0622
Schistosoma mansoni pyruvate kinase 0.0017 0.0049 0.0076
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1365 0.1421
Schistosoma mansoni pyruvate kinase 0.0033 0.0215 0.0333
Mycobacterium ulcerans beta-lactamase 0.0038 0.0266 0.0622
Entamoeba histolytica hypothetical protein 0.0048 0.0373 0.5079
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0445 0.0463
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0035 0.0037
Echinococcus granulosus inositol monophosphatase 1 0.0077 0.0671 0.104
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0485 0.0505
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0266 0.0836
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0644 0.0999
Leishmania major importin beta-1 subunit, putative 0.0048 0.0373 0.0322
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0066 0.0069
Schistosoma mansoni inositol monophosphatase 0.0077 0.0671 0.104
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0025 0.0134 0.0139
Echinococcus granulosus importin subunit beta 1 0.006 0.049 0.0759
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0215 0.0462
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0215 0.0376
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0035 0.0037
Echinococcus granulosus pyruvate kinase 0.0017 0.0049 0.0076
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0077 0.0671 1
Mycobacterium ulcerans hypothetical protein 0.0038 0.0266 0.0622
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0215 0.0376
Loa Loa (eye worm) hypothetical protein 0.0941 0.9606 1
Toxoplasma gondii ABC1 family protein 0.0038 0.0266 0.2572
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0215 0.0376
Echinococcus multilocularis pyruvate kinase 0.0033 0.0215 0.0215
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0215 0.0224
Echinococcus granulosus jumonji domain containing protein 0.004 0.0286 0.0443
Schistosoma mansoni hypothetical protein 0.0016 0.0035 0.0054
Schistosoma mansoni hypothetical protein 0.0016 0.0035 0.0054
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0069 0.0587 0.2175
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0044 0.0327 0.0273
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0034 0.0227 0.2112
Plasmodium falciparum glutathione reductase 0.0034 0.0227 0.2112
Brugia malayi jmjC domain containing protein 0.0035 0.0232 0.0242
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0034 0.0227 0.0353
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0077 0.0671 0.1876
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0215 0.0156
Plasmodium vivax hypothetical protein, conserved 0.0029 0.017 0.143
Trypanosoma brucei C-8 sterol isomerase, putative 0.0941 0.9606 1
Trichomonas vaginalis mercuric reductase, putative 0.0034 0.0227 0.0501
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0266 0.021
Plasmodium falciparum thioredoxin reductase 0.0099 0.0894 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0222 0.0231
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0016 0.0035 0.0037
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.025 0.2461 1
Brugia malayi Muscleblind-like protein 0.018 0.1739 0.181
Loa Loa (eye worm) hypothetical protein 0.0049 0.0381 0.0397
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.025 0.2461 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0232 0.036
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0266 0.0622
Loa Loa (eye worm) hypothetical protein 0.018 0.1739 0.181
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0232 0.036
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0215 0.1964
Echinococcus multilocularis muscleblind protein 1 0.018 0.1739 0.1739
Loa Loa (eye worm) hypothetical protein 0.0038 0.0266 0.0277
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0266 0.0229
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0025 0.0134 0.0139
Toxoplasma gondii thioredoxin reductase 0.0099 0.0894 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0222 0.0231
Schistosoma mansoni importin beta-1 0.006 0.049 0.0759
Echinococcus multilocularis pyruvate kinase 0.0017 0.0049 0.0049
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0266 0.0622
Plasmodium falciparum thioredoxin reductase 0.0034 0.0227 0.2112
Schistosoma mansoni glutaminase 0.033 0.3287 0.5099
Trichomonas vaginalis glutaminase, putative 0.033 0.3287 1
Mycobacterium tuberculosis Conserved protein 0.0038 0.0266 0.0836
Giardia lamblia PHD finger protein 15 0.0029 0.017 0.4346
Loa Loa (eye worm) glutathione reductase 0.0099 0.0894 0.0931
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0445 0.069
Schistosoma mansoni ap endonuclease 0.0019 0.0066 0.0103
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0077 0.0671 0.0634
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0066 0.0103
Loa Loa (eye worm) hypothetical protein 0.0023 0.0112 0.0116
Loa Loa (eye worm) beta-lactamase 0.0038 0.0266 0.0277
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0286 0.0286
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0044 0.0327 0.329
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0232 0.0232
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0266 0.0836
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0099 0.0894 0.3457
Loa Loa (eye worm) hypothetical protein 0.0038 0.0266 0.0277
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0034 0.0227 0.0169
Loa Loa (eye worm) hypothetical protein 0.006 0.049 0.051
Trypanosoma brucei trypanothione reductase 0.0099 0.0894 0.0868
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0034 0.0227 0.0501
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0044 0.0327 0.034
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0034 0.0227 0.0237
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0266 0.2572
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0215 0.0224
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0243 0.2382 0.9668
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0941 0.9606 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0266 0.0277
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0066 0.0204
Trypanosoma cruzi importin beta-1 subunit, putative 0.0048 0.0373 0.0322
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0077 0.0671 1
Echinococcus granulosus muscleblind protein 0.018 0.1739 0.2697
Plasmodium vivax importin-beta 2, putative 0.006 0.049 0.5214
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0225 0.2201 0.8916
Treponema pallidum NADH oxidase 0.0034 0.0227 1
Brugia malayi glutathione reductase 0.0099 0.0894 0.0931
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0044 0.0327 0.329
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0266 0.021
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0034 0.0227 0.0169
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0034 0.0227 0.0169
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0034 0.0227 0.2668
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0034 0.0227 0.0501
Loa Loa (eye worm) hypothetical protein 0.0481 0.4848 0.5047
Onchocerca volvulus 0.0038 0.0266 0.0466
Schistosoma mansoni inositol monophosphatase 0.0077 0.0671 0.104
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0034 0.0227 0.0169
Brugia malayi beta-lactamase 0.0038 0.0266 0.0277
Trichomonas vaginalis ran, putative 0.0044 0.0327 0.081
Loa Loa (eye worm) hypothetical protein 0.018 0.1739 0.181
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0565 0.5717 0.5952
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0445 0.069
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.025 0.2461 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0034 0.0227 0.2112
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0034 0.0227 0.2668
Brugia malayi Importin beta-1 subunit 0.006 0.049 0.051
Trypanosoma cruzi trypanothione reductase, putative 0.0099 0.0894 0.0868
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0215 0.0621
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0035 0.0035
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0215 0.0224
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.0112 0.0754
Mycobacterium ulcerans lipase LipD 0.0038 0.0266 0.0622
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0266 0.0277
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0384 0.0399
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0044 0.0327 0.0273
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0035 0.0054
Toxoplasma gondii HEAT repeat-containing protein 0.006 0.049 0.5214
Onchocerca volvulus Alhambra homolog 0.0029 0.017 0.0297
Echinococcus granulosus GTP binding nuclear protein Ran 0.0044 0.0327 0.0507
Trichomonas vaginalis importin beta-1, putative 0.0048 0.0373 0.0953
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0034 0.0227 0.0353
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0266 0.0836
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0266 0.021
Loa Loa (eye worm) hypothetical protein 0.0038 0.0266 0.0277
Echinococcus granulosus pyruvate kinase 0.0017 0.0049 0.0076
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0445 0.0445
Leishmania major GTP-binding protein, putative 0.0044 0.0327 0.0273
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0266 0.0622
Loa Loa (eye worm) thioredoxin reductase 0.0099 0.0894 0.0931
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0034 0.0227 0.0169
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0215 0.0462
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0034 0.0227 0.2112
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0227 0.2225 0.2316
Plasmodium vivax glutathione reductase, putative 0.0099 0.0894 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0044 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0266 0.0277
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0034 0.0227 0.0169
Echinococcus multilocularis pyruvate kinase 0.0026 0.0143 0.0143
Echinococcus granulosus vesicular acetylcholine transporter 0.0565 0.5717 0.8867
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0266 0.0622
Mycobacterium tuberculosis Probable reductase 0.0225 0.2201 0.8916
Schistosoma mansoni hypothetical protein 0.0016 0.0035 0.0054
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0069 0.0587 0.1657
Mycobacterium tuberculosis Conserved protein 0.0038 0.0266 0.0836
Leishmania major pyruvate kinase 0.0033 0.0215 0.0156
Trichomonas vaginalis inositol monophosphatase, putative 0.0077 0.0671 0.1876
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0215 0.0156
Mycobacterium tuberculosis Conserved protein 0.0038 0.0266 0.0836
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0034 0.0227 1
Schistosoma mansoni ran 0.0044 0.0327 0.0507
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0384 0.0399
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0225 0.2201 0.8844
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0215 0.0224
Leishmania major pyruvate kinase 0.0033 0.0215 0.0156
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0077 0.0671 0.0634
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0445 0.069
Loa Loa (eye worm) glutaminase 2 0.033 0.3287 0.3422
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0266 0.0836
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0445 0.069
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0077 0.0671 0.7355
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0227 0.0169
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0034 0.0227 0.0673
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0266 0.0622
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0077 0.0671 0.0634
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.017 0.0263
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0266 0.0266
Schistosoma mansoni hypothetical protein 0.0034 0.0222 0.0345
Schistosoma mansoni hypothetical protein 0.0636 0.6448 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0266 0.0277
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0565 0.5717 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0227 0.0169
Giardia lamblia NADH oxidase lateral transfer candidate 0.0034 0.0227 0.6418
Echinococcus multilocularis GPCR, family 2 0.0016 0.0035 0.0035
Trypanosoma brucei importin beta-1 subunit, putative 0.006 0.049 0.0444
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0941 0.9606 1
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.017 0.0177
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0227 0.0169
Schistosoma mansoni vesicular acetylcholine transporter 0.0565 0.5717 0.8867
Brugia malayi RNA, U transporter 1 0.0169 0.1625 0.1692
Loa Loa (eye worm) hypothetical protein 0.0049 0.0384 0.0399
Entamoeba histolytica Ran family GTPase 0.0044 0.0327 0.4316
Brugia malayi Bromodomain containing protein 0.0029 0.017 0.0177
Echinococcus granulosus pyruvate kinase 0.0033 0.0215 0.0333
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1365 0.1421
Onchocerca volvulus 0.0038 0.0266 0.0466
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0225 0.2201 0.8916
Leishmania major hypothetical protein, conserved 0.0038 0.0266 0.021
Plasmodium vivax thioredoxin reductase, putative 0.0099 0.0894 1
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0112 0.0116
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.0843 0.1308
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0266 0.0413
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0445 0.069
Echinococcus granulosus snurportin 1 0.0636 0.6448 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0445 0.0463
Echinococcus multilocularis pyruvate kinase 0.0017 0.0049 0.0049
Brugia malayi MH2 domain containing protein 0.0144 0.1365 0.1421
Echinococcus granulosus pyruvate kinase 0.0017 0.0049 0.0076
Echinococcus multilocularis muscleblind protein 0.018 0.1739 0.1739
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0445 0.0445
Brugia malayi PHD-finger family protein 0.0029 0.017 0.0177
Plasmodium falciparum pyruvate kinase 0.0033 0.0215 0.1964
Brugia malayi glutaminase DH11.1 0.033 0.3287 0.3422
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0215 0.0156
Schistosoma mansoni hypothetical protein 0.0016 0.0035 0.0054
Mycobacterium ulcerans glutaminase 0.033 0.3287 1
Echinococcus multilocularis pyruvate kinase 0.0017 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.0038 0.0266 0.0277
Mycobacterium tuberculosis Probable oxidoreductase 0.025 0.2461 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.0843 0.0843
Plasmodium falciparum phd finger protein, putative 0.0029 0.017 0.143
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0034 0.0227 0.2112
Echinococcus multilocularis snurportin 1 0.0636 0.6448 0.6448
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0034 0.0227 0.0169
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0227 0.0169
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0636 0.6448 0.6712
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0215 0.1964
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0225 0.2201 0.8916
Echinococcus granulosus GPCR family 2 0.0016 0.0035 0.0054
Echinococcus multilocularis peregrin 0.0029 0.017 0.017
Onchocerca volvulus 0.0038 0.0266 0.0466
Echinococcus granulosus thioredoxin glutathione reductase 0.0099 0.0894 0.1387
Toxoplasma gondii exonuclease III APE 0.0019 0.0066 0.0204
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0066 0.0619
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.017 0.143
Schistosoma mansoni ap endonuclease 0.0019 0.0066 0.0103
Leishmania major trypanothione reductase 0.0099 0.0894 0.0868
Echinococcus multilocularis vesicular acetylcholine transporter 0.0565 0.5717 0.5717
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0215 0.0156
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0066 0.0069
Mycobacterium tuberculosis Probable dehydrogenase 0.0225 0.2201 0.8916
Plasmodium falciparum glutathione reductase 0.0099 0.0894 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0035 0.0054
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0044 0.0327 0.329
Echinococcus multilocularis inositol monophosphatase 1 0.0077 0.0671 0.0671
Trypanosoma cruzi trypanothione reductase, putative 0.0034 0.0227 0.0169
Leishmania major C-8 sterol isomerase-like protein 0.0941 0.9606 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.017 0.0263
Trypanosoma brucei importin beta-1 subunit, putative 0.006 0.049 0.0444
Loa Loa (eye worm) hypothetical protein 0.0033 0.0215 0.0224
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0266 0.0836
Giardia lamblia Pyruvate kinase 0.0033 0.0215 0.5969
Loa Loa (eye worm) hypothetical protein 0.0029 0.017 0.0177
Mycobacterium leprae Probable lipase LipE 0.0038 0.0266 0.0229
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0034 0.0227 0.0169
Schistosoma mansoni hypothetical protein 0.0029 0.017 0.0263
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.017 0.017
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0215 0.0224
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0044 0.0327 0.0273
Trichomonas vaginalis glutathione reductase, putative 0.0034 0.0227 0.0501
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0266 0.0413
Toxoplasma gondii NADPH-glutathione reductase 0.0034 0.0227 0.2112
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0034 0.0227 0.2112
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0034 0.0227 0.0501
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0034 0.0227 0.0227
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0225 0.2201 0.8916
Echinococcus multilocularis pyruvate kinase 0.0033 0.0215 0.0215
Brugia malayi vesicular acetylcholine transporter unc-17 0.0565 0.5717 0.5952
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0066 0.0204
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0266 0.0622
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0266 0.0622
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0266 0.0836
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0044 0.0327 0.034
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0077 0.0671 0.1876
Brugia malayi Inositol-1 0.0077 0.0671 0.0698
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.017 0.143
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0034 0.0227 0.0169
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0232 0.036
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0034 0.0227 0.0169

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

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

No literature references available for this target.

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