Detailed information for compound 1056780

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 367.46 | Formula: C22H26FN3O
  • H donors: 1 H acceptors: 2 LogP: 5.28 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(C(=O)NCc1ccc2c(c1)cnn2c1ccc(cc1)F)CCC
  • InChi: 1S/C22H26FN3O/c1-3-5-17(6-4-2)22(27)24-14-16-7-12-21-18(13-16)15-25-26(21)20-10-8-19(23)9-11-20/h7-13,15,17H,3-6,14H2,1-2H3,(H,24,27)
  • InChiKey: LLMIBFIKVLEZID-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens smoothened, frizzled class receptor References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis smoothened Get druggable targets OG5_134998 All targets in OG5_134998
Echinococcus granulosus smoothened Get druggable targets OG5_134998 All targets in OG5_134998
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_134998 All targets in OG5_134998
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
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0132 0.0373
Onchocerca volvulus 0.0048 0.0199 0.0492
Loa Loa (eye worm) hypothetical protein 0.003 0.0094 0.0264
Brugia malayi Carboxylesterase family protein 0.0483 0.277 0.7811
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0088 0.0437 0.1058
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0064 0.1281
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0094 0.0227
Loa Loa (eye worm) hypothetical protein 0.0082 0.0399 0.1124
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.0511 0.1237
Schistosoma mansoni hypothetical protein 0.0033 0.0112 0.0271
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.0754 0.4441
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0009 0.0026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0094 0.0264
Loa Loa (eye worm) hypothetical protein 0.0402 0.2288 0.6451
Schistosoma mansoni smad1 5 8 and 0.0024 0.0061 0.0147
Loa Loa (eye worm) frizzled/Smoothened family membrane region containing protein 0.0018 0.0026 0.0072
Schistosoma mansoni hypothetical protein 0.0029 0.0086 0.0207
Brugia malayi jmjC domain containing protein 0.0035 0.0121 0.0342
Trichomonas vaginalis spcc417.12 protein, putative 0.0082 0.0399 0.0927
Echinococcus granulosus snurportin 1 0.0334 0.1887 0.4567
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0083 0.0409 0.04
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0066 0.0339
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0112 0.0316
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0066 0.0101
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0052 0.0256
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0094 0.0264
Schistosoma mansoni hypothetical protein 0.0167 0.09 0.2179
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0152 0.0368
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0094 0.0264
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0052 0.0126
Loa Loa (eye worm) hypothetical protein 0.0016 0.001 0.0028
Echinococcus granulosus acetylcholinesterase 0.0483 0.277 0.6705
Schistosoma mansoni smad1 5 8 and 0.0024 0.0061 0.0147
Schistosoma mansoni hypothetical protein 0.0033 0.0112 0.0271
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0064 0.1281
Schistosoma mansoni hypothetical protein 0.0033 0.0112 0.0271
Loa Loa (eye worm) carboxylesterase 0.0082 0.0399 0.1124
Loa Loa (eye worm) hypothetical protein 0.0029 0.0086 0.0241
Mycobacterium tuberculosis Carboxylesterase LipT 0.0082 0.0399 0.039
Brugia malayi steroid hormone receptor 0.003 0.0094 0.0264
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0094 0.0227
Loa Loa (eye worm) hypothetical protein 0.0033 0.0112 0.0316
Schistosoma mansoni ap endonuclease 0.0018 0.0026 0.0062
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.0471 0.1139
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0199 0.0561
Loa Loa (eye worm) transcription factor SMAD2 0.0359 0.2038 0.5747
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0094 0.0227
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0094 0.0227
Schistosoma mansoni hypothetical protein 0.0167 0.09 0.2179
Echinococcus multilocularis smad 0.0024 0.0061 0.0147
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0064 0.0327
Loa Loa (eye worm) hypothetical protein 0.003 0.0094 0.0264
Echinococcus multilocularis peregrin 0.0029 0.0086 0.0207
Loa Loa (eye worm) carboxylesterase 0.0082 0.0399 0.1124
Schistosoma mansoni smad 0.0024 0.0061 0.0147
Mycobacterium tuberculosis RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)]. 0.1324 0.7736 0.7734
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0094 0.0227
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0094 0.0227
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0086 0.0241
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0094 0.0264
Schistosoma mansoni acetylcholinesterase 0.0082 0.0399 0.0965
Brugia malayi Frizzled/Smoothened family membrane region containing protein 0.0018 0.0026 0.0072
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0094 0.0264
Entamoeba histolytica hypothetical protein 0.0025 0.0066 0.0776
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0086 0.0207
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.001 0.0024
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.0135 0.0327
Schistosoma mansoni frizzled 0.0018 0.0026 0.0062
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0165 0.093
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0511 0.1237
Brugia malayi hypothetical protein 0.0082 0.0399 0.1124
Schistosoma mansoni ap endonuclease 0.0018 0.0026 0.0062
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.0754 0.4441
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase 0.0383 0.2181 0.716
Plasmodium falciparum phd finger protein, putative 0.0029 0.0086 0.6213
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0086 0.1785
Trichomonas vaginalis ran, putative 0.0023 0.0052 0.0066
Onchocerca volvulus 0.0082 0.0399 0.0985
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0026 0.0016
Brugia malayi ecdysteroid receptor 0.003 0.0094 0.0264
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0082 0.0399 0.0965
Loa Loa (eye worm) hypothetical protein 0.0177 0.0964 0.2719
Loa Loa (eye worm) hypothetical protein 0.0483 0.277 0.7811
Leishmania major GTP-binding protein, putative 0.0023 0.0052 0.0256
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0094 0.0227
Echinococcus multilocularis frizzled 10 0.0018 0.0026 0.0062
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0094 0.0264
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0086 0.1785
Echinococcus granulosus mothers against decapentaplegic 5 0.0024 0.0061 0.0147
Loa Loa (eye worm) hypothetical protein 0.003 0.0094 0.0264
Brugia malayi PHD-finger family protein 0.0029 0.0086 0.0241
Schistosoma mansoni Smad4 0.0024 0.0061 0.0147
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0094 0.0264
Schistosoma mansoni coup transcription factor 0.003 0.0094 0.0227
Brugia malayi hypothetical protein 0.0235 0.1302 0.3671
Entamoeba histolytica hypothetical protein 0.0107 0.0548 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0107 0.0548 0.1325
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0052 0.0147
Echinococcus granulosus histone lysine methyltransferase setb 0.0088 0.0437 0.1058
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0026 0.1327
Treponema pallidum replicative DNA helicase (dnaB) 0.0383 0.2181 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.0511 0.1237
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0009 0.0022
Schistosoma mansoni ran 0.0023 0.0052 0.0126
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0094 0.0227
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.0511 0.1237
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0112 0.0271
Onchocerca volvulus Alhambra homolog 0.0029 0.0086 0.0212
Loa Loa (eye worm) hypothetical protein 0.0082 0.0399 0.1124
Echinococcus granulosus frizzled 0.0018 0.0026 0.0062
Echinococcus granulosus TGF beta signal transducer SmadC 0.0024 0.0061 0.0147
Brugia malayi Thioredoxin reductase 0.0037 0.0132 0.0373
Echinococcus granulosus acetylcholinesterase 0.0483 0.277 0.6705
Loa Loa (eye worm) hypothetical protein 0.0105 0.0535 0.1509
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0088 0.0437 0.1058
Entamoeba histolytica hypothetical protein 0.0107 0.0548 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0094 0.0264
Mycobacterium tuberculosis Probable oxidoreductase 0.0093 0.0464 0.0455
Brugia malayi Pre-SET motif family protein 0.0615 0.3547 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.001 0.0028
Plasmodium vivax importin-beta 2, putative 0.0031 0.0101 0.2144
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0024 0.0061 0.0147
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase 0.0383 0.2181 1
Schistosoma mansoni Replicative DNA helicase 0.0383 0.2181 0.5278
Echinococcus multilocularis carboxylesterase 5A 0.0483 0.277 0.6705
Loa Loa (eye worm) hypothetical protein 0.003 0.0094 0.0264
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0086 0.0207
Echinococcus granulosus geminin 0.0167 0.09 0.2179
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0052 0.1005
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.0132 0.0123
Schistosoma mansoni thyroid hormone receptor 0.003 0.0094 0.0227
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0026 0.0097
Brugia malayi MH2 domain containing protein 0.0024 0.0061 0.0172
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.0135 0.0327
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0511 0.1237
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0094 0.0227
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0094 0.0264
Brugia malayi Importin beta-1 subunit 0.0031 0.0101 0.0285
Schistosoma mansoni gliotactin 0.0082 0.0399 0.0965
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0064 0.0327
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0334 0.1887 0.532
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.1686 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.001 0.0024
Giardia lamblia PHD finger protein 15 0.0029 0.0086 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0399 0.1124
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0093 0.0464 0.0222
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0052 0.0126
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0266 0.075
Loa Loa (eye worm) hypothetical protein 0.003 0.0094 0.0264
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0094 0.0227
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0094 0.0227
Loa Loa (eye worm) hypothetical protein 0.003 0.0094 0.0264
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0094 0.0227
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0052 0.1005
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0094 0.0227
Onchocerca volvulus 0.0082 0.0399 0.0985
Loa Loa (eye worm) hypothetical protein 0.0031 0.0101 0.0285
Trichomonas vaginalis set domain proteins, putative 0.07 0.4048 1
Loa Loa (eye worm) carboxylesterase 0.0483 0.277 0.7811
Echinococcus multilocularis frizzled 4 0.0018 0.0026 0.0062
Onchocerca volvulus 0.003 0.0094 0.0231
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0094 0.0264
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0064 0.4459
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0082 0.0399 0.039
Echinococcus granulosus survival motor neuron protein 1 0.0235 0.1302 0.3151
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0026 0.0072
Schistosoma mansoni BC026374 protein (S09 family) 0.0082 0.0399 0.0965
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0094 0.0227
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.001 0.0024
Loa Loa (eye worm) twinkle helicase 0.011 0.0563 0.1588
Loa Loa (eye worm) hypothetical protein 0.0088 0.0437 0.1232
Leishmania major trypanothione reductase 0.0037 0.0132 0.0733
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0094 0.0264
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0132 0.0733
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0009 0.0022
Onchocerca volvulus 0.0088 0.0437 0.108
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0094 0.0227
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0101 0.0511 0.1441
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0357 0.0864
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0094 0.0227
Entamoeba histolytica hypothetical protein 0.0107 0.0548 1
Echinococcus granulosus smoothened 0.041 0.2338 0.5659
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0093 0.0464 0.0455
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0094 0.0231
Loa Loa (eye worm) hypothetical protein 0.0082 0.0399 0.1124
Schistosoma mansoni frizzled-like receptor 0.0018 0.0026 0.0062
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0094 0.0264
Echinococcus multilocularis frizzled 5 0.0018 0.0026 0.0062
Brugia malayi nuclear hormone receptor 0.003 0.0094 0.0264
Brugia malayi nuclear receptor RXR 0.0016 0.001 0.0028
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0094 0.0231
Trypanosoma brucei mitochondrial DNA polymerase beta 0.03 0.1686 1
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0086 0.1785
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0026 0.0097
Echinococcus multilocularis geminin 0.0167 0.09 0.2179
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0094 0.0264
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.001 0.0028
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0094 0.0227
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0009 0.0022
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0165 0.093
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0088 0.0437 0.1058
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.001 0.0024
Entamoeba histolytica Ran family GTPase 0.0023 0.0052 0.0511
Echinococcus multilocularis neuropeptide s receptor 0.046 0.2635 0.6377
Brugia malayi glutathione reductase 0.0037 0.0132 0.0373
Mycobacterium ulcerans replicative DNA helicase DnaB 0.0383 0.2181 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.0535 0.1509
Trypanosoma brucei trypanothione reductase 0.0037 0.0132 0.0733
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0052 0.444
Brugia malayi hypothetical protein 0.0107 0.0548 0.1544
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0066 0.0101
Echinococcus granulosus para nitrobenzyl esterase 0.0082 0.0399 0.0965
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0024 0.0061 0.0147
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0615 0.3547 1
Echinococcus granulosus frizzled 4 0.0018 0.0026 0.0062
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0121 0.0293
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.0535 0.1509
Plasmodium vivax SET domain protein, putative 0.0088 0.0437 1
Echinococcus granulosus importin subunit beta 1 0.0031 0.0101 0.0244
Mycobacterium ulcerans carboxylesterase, LipT 0.0082 0.0399 0.1731
Plasmodium falciparum importin beta, putative 0.0031 0.0101 0.746
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0094 0.0264
Echinococcus multilocularis neuroligin 0.0082 0.0399 0.0965
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0132 0.2874
Echinococcus multilocularis acetylcholinesterase 0.0483 0.277 0.6705
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0094 0.0227
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0093 0.0464 0.0455
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0085 0.0418 0.1011
Schistosoma mansoni microtubule-associated protein tau 0.0714 0.4132 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0052 0.0147
Echinococcus granulosus neuropeptide s receptor 0.046 0.2635 0.6377
Brugia malayi Carboxylesterase family protein 0.0483 0.277 0.7811
Schistosoma mansoni frizzled-like receptor 0.0018 0.0026 0.0062
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0112 0.0316
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0112 0.0316
Schistosoma mansoni importin beta-1 0.0031 0.0101 0.0244
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0101 0.2144
Echinococcus multilocularis BC026374 protein (S09 family) 0.0082 0.0399 0.0965
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0026 0.0381
Loa Loa (eye worm) Smad1 0.0024 0.0061 0.0172
Mycobacterium tuberculosis Probable dehydrogenase 0.0083 0.0409 0.04
Mycobacterium ulcerans hypothetical protein 0.0158 0.0848 0.3818
Echinococcus granulosus peregrin 0.0029 0.0086 0.0207
Echinococcus multilocularis para nitrobenzyl esterase 0.0082 0.0399 0.0965
Echinococcus multilocularis mothers against decapentaplegic 5 0.0024 0.0061 0.0147
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.0754 0.4441
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.0471 0.1139
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0094 0.0227
Loa Loa (eye worm) MH2 domain-containing protein 0.0024 0.0061 0.0172
Mycobacterium leprae Conserved hypothetical protein 0.0502 0.2884 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0009 0.0026
Echinococcus granulosus carboxylesterase 5A 0.0483 0.277 0.6705
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0082 0.0399 0.0965
Echinococcus multilocularis microtubule associated protein 2 0.0714 0.4132 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0112 0.0271
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0088 0.0437 0.1058
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0082 0.0399 0.039
Toxoplasma gondii exonuclease III APE 0.0018 0.0026 0.0381
Plasmodium vivax glutathione reductase, putative 0.0037 0.0132 0.2874
Brugia malayi Frizzled/Smoothened family membrane region containing protein 0.0018 0.0026 0.0072
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0088 0.0437 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0094 0.0264
Echinococcus granulosus FTZ F1 alpha 0.003 0.0094 0.0227
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0026 0.0097
Schistosoma mansoni hypothetical protein 0.0033 0.0112 0.0271
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0088 0.0437 0.1058
Loa Loa (eye worm) hypothetical protein 0.0072 0.0339 0.0957
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0009 0.0022
Chlamydia trachomatis replicative DNA helicase 0.0383 0.2181 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0094 0.0264
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0052 0.0256
Echinococcus granulosus frizzled 5 0.0018 0.0026 0.0062
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0009 0.0022
Schistosoma mansoni nuclear hormone receptor 0.003 0.0094 0.0227
Loa Loa (eye worm) glutathione reductase 0.0037 0.0132 0.0373
Brugia malayi hypothetical protein 0.0025 0.0064 0.0181
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0339 0.0957
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0094 0.0227
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.1686 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0094 0.0264
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0511 0.1237
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0064 0.0327
Loa Loa (eye worm) MH1 domain-containing protein 0.0024 0.0061 0.0172
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0094 0.0264
Brugia malayi Smad1 0.0024 0.0061 0.0172
Echinococcus granulosus GPCR family 2 0.0033 0.0112 0.0271
Echinococcus granulosus jumonji domain containing protein 0.004 0.0152 0.0368
Onchocerca volvulus 0.0082 0.0399 0.0985
Plasmodium falciparum thioredoxin reductase 0.0037 0.0132 1
Onchocerca volvulus 0.07 0.4048 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0483 0.277 0.7811
Echinococcus granulosus smad 0.0024 0.0061 0.0147
Brugia malayi hypothetical protein 0.0016 0.001 0.0028
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0121 0.0342
Schistosoma mansoni transcription factor LCR-F1 0.0107 0.0548 0.1325
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0101 0.0547
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0094 0.0264
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0094 0.0227
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0101 0.0244
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0026 0.0062
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0066 0.0101
Echinococcus multilocularis acetylcholinesterase 0.0483 0.277 0.6705
Loa Loa (eye worm) hypothetical protein 0.0049 0.0207 0.0582
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0121 0.0293
Echinococcus granulosus neuroligin 0.0082 0.0399 0.0965
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0083 0.0409 0.04
Onchocerca volvulus 0.0082 0.0399 0.0985
Schistosoma mansoni ran 0.0023 0.0052 0.0126
Loa Loa (eye worm) hypothetical protein 0.0016 0.001 0.0028
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0083 0.0409 0.04
Echinococcus multilocularis frizzled 0.0018 0.0026 0.0062
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0094 0.0264
Loa Loa (eye worm) hypothetical protein 0.0016 0.001 0.0028
Loa Loa (eye worm) frizzled/Smoothened family membrane region containing protein 0.0018 0.0026 0.0072
Schistosoma mansoni smad1 5 8 and 0.0024 0.0061 0.0147
Leishmania major hypothetical protein, conserved 0.0025 0.0064 0.0327
Brugia malayi Carboxylesterase family protein 0.0082 0.0399 0.1124
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0094 0.0227
Schistosoma mansoni survival motor neuron protein 0.0048 0.0199 0.0482
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.0848 0.084
Echinococcus granulosus neuropeptide receptor A26 0.046 0.2635 0.6377
Schistosoma mansoni thyroid hormone receptor 0.003 0.0094 0.0227
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0094 0.0264
Echinococcus multilocularis snurportin 1 0.0334 0.1887 0.4567
Loa Loa (eye worm) hypothetical protein 0.0082 0.0399 0.1124
Brugia malayi N-terminal motif family protein 0.0177 0.0964 0.2719
Echinococcus multilocularis smoothened 0.041 0.2338 0.5659
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0082 0.0399 0.0965
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0165 0.093
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0107 0.0548 0.1325
Echinococcus granulosus BC026374 protein S09 family 0.0082 0.0399 0.0965
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0094 0.0227
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0026 0.0062
Toxoplasma gondii hypothetical protein 0.0048 0.0202 0.45
Loa Loa (eye worm) hypothetical protein 0.0082 0.0399 0.1124
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0121 0.0293
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.001 0.0028
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0101 0.0511 0.1441
Brugia malayi Carboxylesterase family protein 0.0082 0.0399 0.1124
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0483 0.277 0.6705
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0088 0.0437 0.1058
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0101 0.0547
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0094 0.0264
Brugia malayi RNA, U transporter 1 0.0089 0.0441 0.1244
Leishmania major mitochondrial DNA polymerase beta 0.03 0.1686 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0165 0.093
Brugia malayi nuclear receptor NHR-88 0.003 0.0094 0.0264
Plasmodium falciparum glutathione reductase 0.0037 0.0132 1
Echinococcus multilocularis frizzled 0.0018 0.0026 0.0062
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0083 0.0409 0.04
Brugia malayi MH1 domain containing protein 0.0024 0.0061 0.0172
Loa Loa (eye worm) hypothetical protein 0.0082 0.0399 0.1124
Mycobacterium tuberculosis Probable reductase 0.0083 0.0409 0.04
Brugia malayi jmjC domain containing protein 0.0094 0.0471 0.1327
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0094 0.0264
Brugia malayi hypothetical protein 0.0016 0.0012 0.0033
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0094 0.0264
Brugia malayi MH1 domain containing protein 0.0024 0.0061 0.0172
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0094 0.0264
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0094 0.0227
Echinococcus granulosus Smad4 0.0024 0.0061 0.0147
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0009 0.0022
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0026 0.0097
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0009 0.0022
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0094 0.0227
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0112 0.0271
Brugia malayi hypothetical protein 0.0016 0.001 0.0028
Brugia malayi Carboxylesterase family protein 0.0082 0.0399 0.1124
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0052 0.3496
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0094 0.0231
Echinococcus granulosus frizzled 0.0018 0.0026 0.0062
Brugia malayi Bromodomain containing protein 0.0029 0.0086 0.0241
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0177 0.0964 0.2382
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0064 0.4459
Echinococcus multilocularis neuropeptide receptor A26 0.046 0.2635 0.6377
Brugia malayi isocitrate dehydrogenase 0.0016 0.0009 0.0026
Brugia malayi Pre-SET motif family protein 0.0088 0.0437 0.1232
Schistosoma mansoni neuroligin 3 (S09 family) 0.0082 0.0399 0.0965
Echinococcus multilocularis Smad4 0.0024 0.0061 0.0147
Schistosoma mansoni hypothetical protein 0.0334 0.1887 0.4567
Echinococcus multilocularis survival motor neuron protein 1 0.0235 0.1302 0.3151
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.0511 0.1237
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0082 0.0399 0.0965
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0094 0.0227
Schistosoma mansoni hypothetical protein 0.0107 0.0548 0.1325
Schistosoma mansoni hypothetical protein 0.0048 0.0199 0.0482
Echinococcus multilocularis GPCR, family 2 0.0033 0.0112 0.0271
Loa Loa (eye worm) hypothetical protein 0.0235 0.1302 0.3671
Echinococcus granulosus frizzled 0.0018 0.0026 0.0062
Entamoeba histolytica hypothetical protein 0.0107 0.0548 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0052 0.0256
Loa Loa (eye worm) hypothetical protein 0.0025 0.0064 0.0181
Loa Loa (eye worm) hypothetical protein 0.0016 0.001 0.0028
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0082 0.0399 0.0965
Brugia malayi MH2 domain containing protein 0.0024 0.0061 0.0172
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0112 0.0271
Loa Loa (eye worm) hypothetical protein 0.0483 0.277 0.7811
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0082 0.0399 0.0927
Loa Loa (eye worm) MH2 domain-containing protein 0.0359 0.2038 0.5747
Brugia malayi Carboxylesterase family protein 0.0082 0.0399 0.1124
Onchocerca volvulus 0.0082 0.0399 0.0985
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0086 0.0207
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.001 0.0028
Brugia malayi MH2 domain containing protein 0.0359 0.2038 0.5747
Leishmania major importin beta-1 subunit, putative 0.0025 0.0066 0.0339
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0094 0.0264
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0121 0.0293
Schistosoma mansoni hypothetical protein 0.0072 0.0339 0.0821
Toxoplasma gondii thioredoxin reductase 0.0037 0.0132 0.2874
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.022 0.1255
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.0535 0.1509
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0026 0.0072
Echinococcus granulosus microtubule associated protein 2 0.0714 0.4132 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.13 uM Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS ChEMBL. 19540115

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

1 literature reference was collected for this gene.

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