Detailed information for compound 1018715

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 417.507 | Formula: C23H27N7O
  • H donors: 3 H acceptors: 5 LogP: 3.82 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[C@@H](Nc1nc(Nc2ccc(cc2)c2ccccn2)c2c(n1)n(cn2)C(C)C)CO
  • InChi: 1S/C23H27N7O/c1-4-17(13-31)27-23-28-21(20-22(29-23)30(14-25-20)15(2)3)26-18-10-8-16(9-11-18)19-7-5-6-12-24-19/h5-12,14-15,17,31H,4,13H2,1-3H3,(H2,26,27,28,29)/t17-/m1/s1
  • InChiKey: CWYPIRLIVVXCBY-QGZVFWFLSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi Pre-SET motif family protein 0.021 0.0707 0.2191
Mycobacterium ulcerans hypothetical protein 0.0408 0.1476 0.459
Schistosoma mansoni intermediate filament proteins 0.0111 0.0324 0.0587
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0065 0.02
Echinococcus granulosus tumor protein p63 0.0715 0.267 0.4845
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0055 0.0108 0.0107
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0106 0.0306 0.1987
Entamoeba histolytica hypothetical protein 0.0405 0.1464 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0031 0.0015 0.0035
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0408 0.1476 0.2677
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0055 0.0168
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0044 0.0065 0.0439
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.001 0.0018
Mycobacterium ulcerans beta-lactamase 0.0408 0.1476 0.459
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0054 0.0103 0.0185
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0054 0.0103 0.0185
Schistosoma mansoni hypothetical protein 0.0098 0.0274 0.0496
Schistosoma mansoni coup transcription factor 0.0054 0.0103 0.0185
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.001 0.0029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0054 0.0103 0.0307
Toxoplasma gondii target of rapamycin (TOR), putative 0.0041 0.0055 0.033
Loa Loa (eye worm) phosphatidylinositol 3 0.0055 0.0106 0.0318
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.007 0.0165 0.0298
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0055 0.0106 0.0716
Echinococcus granulosus GPCR family 2 0.0098 0.0274 0.0496
Echinococcus multilocularis beta LACTamase domain containing family member 0.0408 0.1476 0.2677
Schistosoma mansoni transcription factor LCR-F1 0.0405 0.1464 0.2657
Schistosoma mansoni hypothetical protein 0.067 0.2495 0.4527
Onchocerca volvulus 0.0054 0.0103 0.0629
Brugia malayi acetyltransferase, GNAT family protein 0.0315 0.1116 0.3463
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0055 0.0168
Loa Loa (eye worm) hypothetical protein 0.0054 0.0103 0.0307
Trichomonas vaginalis penicillin-binding protein, putative 0.0408 0.1476 0.459
Schistosoma mansoni microtubule-associated protein tau 0.1447 0.551 1
Schistosoma mansoni tar DNA-binding protein 0.0261 0.0907 0.1646
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0055 0.0106 0.0191
Loa Loa (eye worm) acetyltransferase 0.0315 0.1116 0.3463
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0053 0.0099 0.4445
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0111 0.0324 0.0997
Trypanosoma cruzi hypothetical protein, conserved 0.0408 0.1476 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.022 0.0672
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0408 0.1476 0.1475
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0055 0.0108 0.0725
Loa Loa (eye worm) hypothetical protein 0.0212 0.0715 0.2216
Echinococcus granulosus intermediate filament protein 0.0111 0.0324 0.0587
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0014 0.0041
Schistosoma mansoni steroid hormone receptor ad4bp 0.0054 0.0103 0.0185
Trichomonas vaginalis set domain proteins, putative 0.0239 0.082 0.2549
Schistosoma mansoni cellular tumor antigen P53 0.0105 0.03 0.0544
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0054 0.0103 0.0307
Loa Loa (eye worm) hypothetical protein 0.0162 0.0524 0.162
Loa Loa (eye worm) TAR-binding protein 0.0261 0.0907 0.2813
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0054 0.0103 0.0185
Echinococcus multilocularis GPCR, family 2 0.0098 0.0274 0.0496
Schistosoma mansoni hypothetical protein 0.0098 0.0274 0.0496
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0014 0.0041
Schistosoma mansoni tar DNA-binding protein 0.0261 0.0907 0.1646
Schistosoma mansoni glutaminase 0.0856 0.3214 0.5833
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0028 0.0004 0.0006
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0038 0.004 0.0123
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0055 0.0106 0.029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0077 0.0237
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0038 0.004 0.0072
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.022 0.0683
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0098 0.0274 0.0496
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.007 0.0165 0.0501
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0054 0.0103 0.0185
Mycobacterium tuberculosis Probable esterase LipL 0.0408 0.1476 0.1475
Entamoeba histolytica hypothetical protein 0.0405 0.1464 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0054 0.0103 0.0307
Brugia malayi TAR-binding protein 0.0261 0.0907 0.2813
Brugia malayi MH2 domain containing protein 0.0375 0.135 0.4193
Brugia malayi steroid hormone receptor 0.0054 0.0103 0.0307
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0054 0.0103 0.0307
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0054 0.0103 0.0307
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0054 0.0103 0.0185
Schistosoma mansoni thyroid hormone receptor 0.0724 0.2704 0.4906
Mycobacterium tuberculosis Conserved protein 0.0408 0.1476 0.1475
Loa Loa (eye worm) hypothetical protein 0.0408 0.1476 0.4584
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.067 0.2495 0.4527
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0084 0.022 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0103 0.0307
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0054 0.0103 0.0307
Brugia malayi latrophilin 2 splice variant baaae 0.0212 0.0715 0.2216
Onchocerca volvulus 0.0408 0.1476 1
Entamoeba histolytica hypothetical protein 0.0405 0.1464 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0093 0.0253 0.1681
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0065 0.02
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0054 0.0103 0.0185
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0055 0.0106 0.0463
Trichomonas vaginalis glutaminase, putative 0.0856 0.3214 1
Trichomonas vaginalis D-aminoacylase, putative 0.0408 0.1476 0.459
Echinococcus granulosus beta LACTamase domain containing family member 0.0408 0.1476 0.2677
Echinococcus multilocularis thyroid hormone receptor alpha 0.0724 0.2704 0.4906
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0093 0.0253 0.0786
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0106 0.0328
Loa Loa (eye worm) hypothetical protein 0.0054 0.0103 0.0307
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0055 0.0168
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0028 0.0004 0.0006
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0054 0.0103 0.0307
Brugia malayi beta-lactamase family protein 0.0408 0.1476 0.4584
Loa Loa (eye worm) intermediate filament protein 0.0111 0.0324 0.0997
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0098 0.0274 0.0496
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0006 0.0253
Brugia malayi nuclear hormone receptor 0.0054 0.0103 0.0307
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0054 0.0103 0.0185
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0054 0.0103 0.0185
Plasmodium falciparum histone acetyltransferase GCN5 0.0085 0.0223 1
Brugia malayi cytoplasmic intermediate filament protein 0.0059 0.0124 0.0374
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0059 0.0124 0.0374
Loa Loa (eye worm) beta-lactamase 0.0408 0.1476 0.4584
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0408 0.1476 0.459
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0055 0.0106 0.0318
Brugia malayi ecdysteroid receptor 0.0054 0.0103 0.0307
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.0707 0.2191
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0014 0.0041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0055 0.0168
Schistosoma mansoni hypothetical protein 0.0098 0.0274 0.0496
Brugia malayi Nuclear hormone receptor-like 1 0.0054 0.0103 0.0307
Mycobacterium tuberculosis Probable lipase LipE 0.0408 0.1476 0.1475
Echinococcus granulosus histone acetyltransferase KAT2B 0.0306 0.1081 0.1962
Echinococcus multilocularis ecdysone induced protein 78C 0.0054 0.0103 0.0185
Echinococcus granulosus lamin 0.0111 0.0324 0.0587
Mycobacterium tuberculosis Conserved protein 0.0408 0.1476 0.1475
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0054 0.0103 0.0307
Brugia malayi hypothetical protein 0.0162 0.0524 0.162
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.001 0.0018
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0038 0.004 0.0269
Schistosoma mansoni lamin 0.0111 0.0324 0.0587
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0408 0.1476 0.4584
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0054 0.0103 0.0307
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0028 0.0004 0.0006
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0093 0.0253 0.1681
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0084 0.022 1
Loa Loa (eye worm) hypothetical protein 0.0408 0.1476 0.4584
Brugia malayi Steroid receptor seven-up type 2 0.0054 0.0103 0.0307
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0025 0.0077
Echinococcus granulosus FTZ F1 alpha 0.0054 0.0103 0.0185
Loa Loa (eye worm) hypothetical protein 0.0036 0.0034 0.0094
Echinococcus multilocularis FTZ F1 alpha 0.0054 0.0103 0.0185
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0024 0.0073
Echinococcus multilocularis lamin 0.0111 0.0324 0.0587
Schistosoma mansoni hypothetical protein 0.0098 0.0274 0.0496
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0106 0.0328
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0106 0.0306 0.0949
Brugia malayi photoreceptor-specific nuclear receptor 0.0054 0.0103 0.0307
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0106 0.0306 0.0949
Brugia malayi beta-lactamase 0.0408 0.1476 0.4584
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0055 0.0106 0.0621
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0038 0.004 0.0112
Brugia malayi hypothetical protein 0.0405 0.1464 0.4549
Schistosoma mansoni tar DNA-binding protein 0.0261 0.0907 0.1646
Loa Loa (eye worm) hypothetical protein 0.003 0.001 0.002
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0049 0.0084 0.0305
Onchocerca volvulus 0.0239 0.082 0.5523
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0054 0.0101 0.0183
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.001 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0055 0.0168
Plasmodium vivax SET domain protein, putative 0.003 0.001 0.0029
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0054 0.0103 0.0185
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.031 0.1096 0.34
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0098 0.0274 0.0841
Echinococcus multilocularis peptidase Clp (S14 family) 0.0055 0.0108 0.0194
Plasmodium vivax hypothetical protein, conserved 0.0408 0.1476 1
Schistosoma mansoni hypothetical protein 0.0405 0.1464 0.2657
Mycobacterium ulcerans glutaminase 0.0856 0.3214 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.022 0.0683
Giardia lamblia Histone acetyltransferase GCN5 0.0085 0.0223 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.001 0.0018
Loa Loa (eye worm) hypothetical protein 0.0054 0.0103 0.0307
Mycobacterium ulcerans lipase LipD 0.0408 0.1476 0.459
Mycobacterium tuberculosis Probable lipase LipD 0.0408 0.1476 0.1475
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0054 0.0103 0.0185
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0055 0.0106 0.0716
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0006 0.001
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0054 0.0103 0.0307
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0408 0.1476 0.1475
Brugia malayi intermediate filament protein 0.0111 0.0324 0.0997
Onchocerca volvulus Protein ultraspiracle homolog 0.0054 0.0103 0.0629
Loa Loa (eye worm) hypothetical protein 0.0098 0.0274 0.0841
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0106 0.0306 0.1864
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.067 0.2495 0.4527
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0084 0.022 0.9851
Schistosoma mansoni tar DNA-binding protein 0.0261 0.0907 0.1646
Entamoeba histolytica acetyltransferase, GNAT family 0.0085 0.0223 0.1285
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0055 0.0106 0.0463
Schistosoma mansoni tar DNA-binding protein 0.0261 0.0907 0.1646
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0054 0.0101 0.0183
Trichomonas vaginalis D-aminoacylase, putative 0.0408 0.1476 0.459
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0054 0.0103 0.0185
Trichomonas vaginalis D-aminoacylase, putative 0.0408 0.1476 0.459
Loa Loa (eye worm) glutaminase 0.0856 0.3214 1
Echinococcus granulosus peptidase Clp S14 family 0.0055 0.0108 0.0194
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.001 0.0018
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0091 0.0245 0.0751
Echinococcus granulosus ecdysone induced protein 78C 0.0054 0.0103 0.0185
Mycobacterium tuberculosis Probable hydrolase 0.0408 0.1476 0.1475
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0098 0.0274 0.0496
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0054 0.0103 0.0307
Mycobacterium ulcerans esterase/lipase LipP 0.0408 0.1476 0.459
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.01 0.0281 0.169
Brugia malayi beta-lactamase family protein 0.0408 0.1476 0.4584
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0054 0.0103 0.0307
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0065 0.02
Brugia malayi RNA recognition motif domain containing protein 0.0261 0.0907 0.2813
Brugia malayi Pre-SET motif family protein 0.003 0.001 0.002
Schistosoma mansoni hypothetical protein 0.0212 0.0715 0.1297
Loa Loa (eye worm) hypothetical protein 0.031 0.1096 0.34
Brugia malayi Latrophilin receptor protein 2 0.0098 0.0274 0.0841
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0055 0.0106 0.0191
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0054 0.0103 0.0185
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.022 0.1455
Loa Loa (eye worm) MH2 domain-containing protein 0.0375 0.135 0.4193
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0098 0.0274 0.0496
Onchocerca volvulus Bile acid receptor homolog 0.0054 0.0103 0.0629
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0054 0.0103 0.0185
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0085 0.0224 0.1292
Brugia malayi Probable ClpP-like protease 0.0084 0.022 0.0672
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0014 0.0041
Onchocerca volvulus 0.0408 0.1476 1
Echinococcus granulosus lamin dm0 0.0111 0.0324 0.0587
Loa Loa (eye worm) hypothetical protein 0.0408 0.1476 0.4584
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0014 0.0041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0025 0.0077
Trypanosoma cruzi hypothetical protein, conserved 0.0408 0.1476 1
Schistosoma mansoni RAR-like nuclear receptor 0.0054 0.0103 0.0185
Loa Loa (eye worm) hypothetical protein 0.0054 0.0103 0.0307
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0054 0.0103 0.0185
Loa Loa (eye worm) pigment dispersing factor receptor c 0.031 0.1096 0.34
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0408 0.1476 0.1475
Mycobacterium tuberculosis Conserved protein 0.0408 0.1476 0.1475
Echinococcus multilocularis tar DNA binding protein 0.0261 0.0907 0.1646
Loa Loa (eye worm) hypothetical protein 0.0054 0.0103 0.0307
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0054 0.0103 0.0185
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0038 0.004 0.0123
Echinococcus granulosus tar DNA binding protein 0.0261 0.0907 0.1646
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0054 0.0103 0.0307
Loa Loa (eye worm) glutaminase 2 0.0856 0.3214 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0165 0.0501
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.022 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0094 0.0279
Entamoeba histolytica hypothetical protein 0.0085 0.0224 0.1292
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0084 0.022 0.0398
Loa Loa (eye worm) RNA binding protein 0.0261 0.0907 0.2813
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0014 0.0041
Loa Loa (eye worm) hypothetical protein 0.0109 0.0316 0.0972
Echinococcus multilocularis microtubule associated protein 2 0.1447 0.551 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0084 0.022 0.1487
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0405 0.1464 0.2657
Schistosoma mansoni peptidase Clp (S14 family) 0.0084 0.022 0.0398
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0084 0.022 0.1455
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0197 0.0657 0.1191
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0054 0.0103 0.0307
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0054 0.0103 0.0307
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0408 0.1476 0.4584
Mycobacterium leprae Probable lipase LipE 0.0408 0.1476 1
Schistosoma mansoni lamin 0.0111 0.0324 0.0587
Loa Loa (eye worm) hypothetical protein 0.0054 0.0101 0.0303
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0028 0.0004 0.0006
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.001 0.0018
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0315 0.1116 0.2024
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0315 0.1116 0.2024
Leishmania major hypothetical protein, conserved 0.0408 0.1476 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0054 0.0103 0.0185
Brugia malayi Calcitonin receptor-like protein seb-1 0.031 0.1096 0.34
Brugia malayi Intermediate filament tail domain containing protein 0.0111 0.0324 0.0997
Loa Loa (eye worm) steroid hormone receptor 0.0054 0.0103 0.0307
Onchocerca volvulus 0.0111 0.0324 0.2141
Onchocerca volvulus 0.0111 0.0324 0.2141
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0029 0.0006 0.0038
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0055 0.0168
Loa Loa (eye worm) hypothetical protein 0.0408 0.1476 0.4584
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0025 0.0077
Brugia malayi RNA binding protein 0.0261 0.0907 0.2813
Onchocerca volvulus 0.0162 0.0524 0.3505
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0261 0.0907 0.2813
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0054 0.0103 0.0307
Loa Loa (eye worm) latrophilin receptor protein 2 0.0098 0.0274 0.0841
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0093 0.0253 0.1681
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0054 0.0103 0.0307
Loa Loa (eye worm) hypothetical protein 0.0408 0.1476 0.4584
Trichomonas vaginalis bromodomain-containing protein, putative 0.0093 0.0253 0.0786
Loa Loa (eye worm) hypothetical protein 0.0054 0.0103 0.0307
Toxoplasma gondii ABC1 family protein 0.0408 0.1476 1
Schistosoma mansoni thyroid hormone receptor 0.0724 0.2704 0.4906
Echinococcus granulosus histone acetyltransferase KAT2B 0.0093 0.0253 0.0458
Giardia lamblia GTOR 0.0055 0.0106 0.4752
Loa Loa (eye worm) transcription factor SMAD2 0.0375 0.135 0.4193
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.007 0.0165 0.0298
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.004 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0036 0.0109
Echinococcus multilocularis tumor protein p63 0.0715 0.267 0.4845
Trypanosoma brucei hypothetical protein, conserved 0.0408 0.1476 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0055 0.0106 0.0621
Entamoeba histolytica hypothetical protein 0.0405 0.1464 1
Brugia malayi glutaminase DH11.1 0.0856 0.3214 1
Schistosoma mansoni nuclear hormone receptor 0.0054 0.0103 0.0185
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0106 0.0328
Onchocerca volvulus 0.0105 0.03 0.1977
Loa Loa (eye worm) hypothetical protein 0.0051 0.0094 0.0279
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0106 0.0306 0.0949
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0038 0.004 0.0123
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0197 0.0657 0.1191
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0074 0.0181 0.056
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0065 0.02
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0054 0.0103 0.0307
Loa Loa (eye worm) hypothetical protein 0.0105 0.03 0.0922
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0014 0.0041
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0054 0.0103 0.0307
Echinococcus multilocularis lamin dm0 0.0111 0.0324 0.0587
Echinococcus granulosus microtubule associated protein 2 0.1447 0.551 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0055 0.0106 0.029
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0054 0.0103 0.0185
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0054 0.0103 0.0307
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0024 0.0073
Trichomonas vaginalis esterase, putative 0.0408 0.1476 0.459
Loa Loa (eye worm) hypothetical protein 0.0408 0.1476 0.4584
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0106 0.0306 0.1987
Loa Loa (eye worm) hypothetical protein 0.0111 0.0324 0.0997
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0197 0.0657 0.1191
Trichomonas vaginalis penicillin-binding protein, putative 0.0408 0.1476 0.459
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0055 0.0106 0.0191
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0065 0.02
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0054 0.0103 0.0629
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0055 0.0108 0.0107
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0054 0.0103 0.0185
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.001 0.0018
Brugia malayi nuclear receptor NHR-88 0.0054 0.0103 0.0307
Loa Loa (eye worm) phosphatidylinositol 3 0.0176 0.0575 0.178
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0084 0.022 0.0398
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0055 0.0168
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0106 0.0306 0.0939
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0405 0.1464 0.2657
Trypanosoma cruzi target of rapamycin kinase 3 0.0044 0.0065 0.0341
Onchocerca volvulus 0.0408 0.1476 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0103 0.0307
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0054 0.0103 0.0185
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0038 0.004 0.0169
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0408 0.1476 0.2677
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0074 0.0181 0.056
Schistosoma mansoni retinoic acid receptor RXR 0.0054 0.0103 0.0185
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.022 0.5
Echinococcus multilocularis musashi 0.0111 0.0324 0.0587
Mycobacterium leprae conserved hypothetical protein 0.0408 0.1476 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.022 0.1455

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 10 uM Antiproliferative activity against human SH-SY5Y cells assessed as survival after 48 hrs by MTS reduction assay ChEMBL. 18698753
IC50 (ADMET) = 10.4 uM Antiproliferative activity against HEK293 cells assessed as survival after 48 hrs by MTS reduction assay ChEMBL. 18698753

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 18698753

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

No literature references available for this target.

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