Detailed information for compound 145105

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 715.711 | Formula: C29H29N7O11S2
  • H donors: 7 H acceptors: 11 LogP: 1.27 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 4
  • SMILES: CCn1cc(C(=O)NCC2=C(C(=O)O)N3[C@H](SC2)[C@@H](C3=O)NC(=O)/C(=N\OC(C(=O)O)(C)C)/c2csc(n2)N)c(=O)c2c1cc(O)c(c2)O
  • InChi: 1S/C29H29N7O11S2/c1-4-35-8-13(21(39)12-5-16(37)17(38)6-15(12)35)22(40)31-7-11-9-48-25-19(24(42)36(25)20(11)26(43)44)33-23(41)18(14-10-49-28(30)32-14)34-47-29(2,3)27(45)46/h5-6,8,10,19,25,37-38H,4,7,9H2,1-3H3,(H2,30,32)(H,31,40)(H,33,41)(H,43,44)(H,45,46)/b34-18-/t19-,25-/m1/s1
  • InChiKey: HFRHQUOAMSCICO-AJKXJVAFSA-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 Nuclear hormone receptor-like 1 0.0006 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0361 0.7932 0.7932
Brugia malayi diacylglycerol kinase 0.0014 0.0203 0.0203
Schistosoma mansoni hypothetical protein 0.0015 0.0229 0.0289
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0229 0.0229
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0012 0.0166 0.0166
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0063 0.0063
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0124 0.0156
Schistosoma mansoni sphingosine kinase A B 0.0361 0.7932 1
Brugia malayi Smad1 0.0008 0.0065 0.0065
Brugia malayi MH2 domain containing protein 0.0008 0.0065 0.0065
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0588 0.0588
Brugia malayi ecdysteroid receptor 0.0011 0.0124 0.0124
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0124 0.0124
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.2472 0.2472
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0124 0.0124
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.2159 0.2722
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0463 0.0463
Schistosoma mansoni aldehyde dehydrogenase 0.0058 0.118 0.1488
Loa Loa (eye worm) diacylglycerol kinase 2 0.0014 0.0203 0.0203
Loa Loa (eye worm) hypothetical protein 0.0012 0.0156 0.0156
Loa Loa (eye worm) eye-specific diacylglycerol kinase 0.0014 0.0203 0.0203
Loa Loa (eye worm) hypothetical protein 0.0174 0.3763 0.3763
Trichomonas vaginalis CAMK family protein kinase 0.009 0.1898 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.009 0.1898 1
Echinococcus granulosus acylglycerol kinase mitochondrial 0.0014 0.0203 0.0203
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.2472 0.2472
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0124 0.0124
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0124 0.0124
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0124 0.0124
Onchocerca volvulus 0.0026 0.0463 0.1229
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0764 0.0964
Trichomonas vaginalis bmru protein, putative 0.0014 0.0203 0.0838
Brugia malayi MH2 domain containing protein 0.0008 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0006 0.0013 0.0013
Echinococcus granulosus muscleblind protein 0.0454 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0203 0.0203
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0065 0.0065
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0964 0.0964
Trichomonas vaginalis diacylglycerol kinase, putative 0.0014 0.0203 0.0838
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0152 0.0152
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.1213 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0152 0.0152
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0124 0.0124
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0196 0.0196
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0964 0.0964
Loa Loa (eye worm) hypothetical protein 0.0011 0.0124 0.0124
Echinococcus granulosus sphingosine kinase 1 0.0361 0.7932 0.7932
Schistosoma mansoni intermediate filament proteins 0.0026 0.0463 0.0583
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0013 0.0013
Echinococcus multilocularis acylglycerol kinase, mitochondrial 0.0014 0.0203 0.0203
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0124 0.0156
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0124 0.0124
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0124 0.0124
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0463 0.0463
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0124 0.0124
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0013 0.0013
Brugia malayi hypothetical protein 0.0026 0.0474 0.0474
Brugia malayi hypothetical protein 0.0006 0.0013 0.0013
Brugia malayi hypothetical protein 0.0006 0.0013 0.0013
Schistosoma mansoni diacylglycerol kinase zeta iota 0.0014 0.0203 0.0255
Entamoeba histolytica hypothetical protein, conserved 0.0361 0.7932 1
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0124 0.0124
Schistosoma mansoni hypothetical protein 0.0033 0.0624 0.0787
Loa Loa (eye worm) hypothetical protein 0.0011 0.0124 0.0124
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0124 0.0124
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.0884 0.4518
Loa Loa (eye worm) hypothetical protein 0.0012 0.0166 0.0166
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0474 0.1603
Brugia malayi diacylglycerol kinase 0.0014 0.0203 0.0203
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0124 0.0156
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0124 0.0124
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0203 0.0838
Brugia malayi Ceramide kinase 0.0014 0.0203 0.0203
Brugia malayi MH2 domain containing protein 0.0116 0.2472 0.2472
Mycobacterium ulcerans aldehyde dehydrogenase 0.0058 0.118 0.1265
Loa Loa (eye worm) hypothetical protein 0.0014 0.0203 0.0203
Echinococcus multilocularis sphingosine kinase 1 0.0361 0.7932 0.7932
Trichomonas vaginalis diacylglycerol kinase, putative 0.0014 0.0203 0.0838
Echinococcus granulosus lamin 0.0026 0.0463 0.0463
Trichomonas vaginalis sphingosine kinase, putative 0.0014 0.0203 0.0838
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0102 0.2159 0.2159
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0124 0.0124
Onchocerca volvulus Serine\/threonine kinase homolog 0.009 0.1898 0.5042
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0102 0.2159 0.2159
Loa Loa (eye worm) hypothetical protein 0.0026 0.0474 0.0474
Entamoeba histolytica hypothetical protein 0.0039 0.0764 0.0727
Echinococcus granulosus GPCR family 2 0.0015 0.0229 0.0229
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0124 0.0124
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0013 0.0013
Echinococcus multilocularis lamin 0.0026 0.0463 0.0463
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0105 0.0105
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0474 0.1603
Entamoeba histolytica hypothetical protein 0.0039 0.0764 0.0727
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0013 0.0017
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0124 0.0124
Trypanosoma brucei polo-like protein kinase 0.009 0.1898 1
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.0884 0.4518
Loa Loa (eye worm) hypothetical protein 0.0006 0.0013 0.0013
Loa Loa (eye worm) ceramide kinase 0.0014 0.0203 0.0203
Loa Loa (eye worm) hypothetical protein 0.0006 0.0013 0.0013
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0013 0.0017
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0764 0.0764
Echinococcus multilocularis smad 0.0008 0.0065 0.0065
Echinococcus multilocularis cpg binding protein 0.0033 0.0628 0.0628
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0964 0.0964
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0124 0.0124
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0058 0.118 0.118
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0764 0.0764
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0065 0.0065
Schistosoma mansoni hypothetical protein 0.0015 0.0229 0.0289
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0124 0.0124
Echinococcus granulosus Diacylglycerol kinase zeta 0.0014 0.0203 0.0203
Loa Loa (eye worm) histone methyltransferase 0.001 0.0105 0.0105
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0124 0.0156
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0063 0.0079
Echinococcus multilocularis musashi 0.0026 0.0463 0.0463
Loa Loa (eye worm) hypothetical protein 0.0006 0.0013 0.0013
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0124 0.0329
Schistosoma mansoni cpg binding protein 0.0033 0.0628 0.0791
Loa Loa (eye worm) hypothetical protein 0.0011 0.0124 0.0124
Toxoplasma gondii aldehyde dehydrogenase 0.0058 0.118 0.9678
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0033 0.0624 0.0624
Loa Loa (eye worm) hypothetical protein 0.0454 1 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.009 0.1898 0.2193
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0124 0.0124
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0124 0.0156
Brugia malayi hypothetical protein 0.0174 0.3763 0.3763
Echinococcus granulosus lamin dm0 0.0026 0.0463 0.0463
Brugia malayi serine/threonine-protein kinase plk-2 0.009 0.1898 0.1898
Onchocerca volvulus 0.0031 0.0588 0.1562
Schistosoma mansoni smad1 5 8 and 0.0008 0.0065 0.0082
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0124 0.0124
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0124 0.0124
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0229 0.0229
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0065 0.0065
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0474 1
Onchocerca volvulus 0.0011 0.0124 0.0329
Schistosoma mansoni lamin 0.0026 0.0463 0.0583
Brugia malayi intermediate filament protein 0.0026 0.0463 0.0463
Schistosoma mansoni hypothetical protein 0.0014 0.0203 0.0255
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0474 1
Trypanosoma cruzi polo-like protein kinase, putative 0.009 0.1898 1
Echinococcus granulosus intermediate filament protein 0.0026 0.0463 0.0463
Brugia malayi hypothetical protein 0.0017 0.0267 0.0267
Schistosoma mansoni coup transcription factor 0.0011 0.0124 0.0156
Trichomonas vaginalis CAMK family protein kinase 0.009 0.1898 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0124 0.0124
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0124 0.0156
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0012 0.0166 0.0166
Giardia lamblia Kinase, PLK 0.009 0.1898 0.5
Onchocerca volvulus Ceramide kinase 1 homolog 0.0014 0.0203 0.0538
Schistosoma mansoni sphingoid long chain base kinase 0.0361 0.7932 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0124 0.0124
Schistosoma mansoni hypothetical protein 0.0039 0.0764 0.0964
Onchocerca volvulus 0.0026 0.0463 0.1229
Loa Loa (eye worm) hypothetical protein 0.0012 0.0156 0.0156
Loa Loa (eye worm) hypothetical protein 0.0011 0.0124 0.0124
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0124 0.0124
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0463 0.0463
Brugia malayi hypothetical protein 0.0039 0.0764 0.0764
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0013 0.0013
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0124 0.0156
Trichomonas vaginalis CAMK family protein kinase 0.009 0.1898 1
Schistosoma mansoni serine/threonine protein kinase 0.009 0.1898 0.2392
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0026 0.0463 0.0463
Brugia malayi nuclear receptor NHR-88 0.0011 0.0124 0.0124
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0102 0.2159 0.2159
Schistosoma mansoni diacylglycerol kinase theta 0.0014 0.0203 0.0255
Trichomonas vaginalis sphingosine kinase, putative 0.0014 0.0203 0.0838
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0014 0.0203 0.0838
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0124 0.0156
Trichomonas vaginalis CAMK family protein kinase 0.009 0.1898 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0124 0.0124
Brugia malayi MH1 domain containing protein 0.0008 0.0065 0.0065
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0124 0.0124
Trichomonas vaginalis CAMK family protein kinase 0.009 0.1898 1
Entamoeba histolytica hypothetical protein 0.0039 0.0764 0.0727
Mycobacterium tuberculosis Conserved protein 0.0361 0.7932 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0124 0.0156
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0124 0.0124
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0124 0.0124
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0474 0.1603
Echinococcus multilocularis Smad4 0.0008 0.0065 0.0065
Leishmania major hypothetical protein, conserved 0.0026 0.0474 0.1603
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0124 0.0124
Echinococcus granulosus Smad4 0.0008 0.0065 0.0065
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0065 0.0082
Brugia malayi Eye-specific diacylglycerol kinase 0.0014 0.0203 0.0203
Entamoeba histolytica hypothetical protein 0.0039 0.0764 0.0727
Echinococcus multilocularis lamin dm0 0.0026 0.0463 0.0463
Echinococcus multilocularis GPCR, family 2 0.0015 0.0229 0.0229
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0124 0.0156
Brugia malayi nuclear receptor RXR 0.0006 0.0013 0.0013
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0124 0.0124
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0063 0.0063
Echinococcus granulosus Diacylglycerol kinase theta 0.0014 0.0203 0.0203
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0105 0.0105
Echinococcus multilocularis Diacylglycerol kinase zeta 0.0014 0.0203 0.0203
Schistosoma mansoni lamin 0.0026 0.0463 0.0583
Trichomonas vaginalis CAMK family protein kinase 0.009 0.1898 1
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0474 0.2691
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0229 0.0229
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0124 0.0124
Schistosoma mansoni hypothetical protein 0.0015 0.0229 0.0289
Loa Loa (eye worm) hypothetical protein 0.0011 0.0124 0.0124
Echinococcus granulosus cpg binding protein 0.0033 0.0628 0.0628
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0124 0.0124
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0102 0.2159 0.2159
Echinococcus granulosus serine:threonine protein kinase PLK1 0.009 0.1898 0.1898
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0124 0.0124
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0124 0.0329
Trichomonas vaginalis CAMK family protein kinase 0.009 0.1898 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0124 0.0124
Brugia malayi CXXC zinc finger family protein 0.0031 0.0588 0.0588
Mycobacterium ulcerans aldehyde dehydrogenase 0.0058 0.118 0.1265
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0063 0.0063
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0229 0.0229
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0103 0.0103
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.2159 0.2722
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.1371 0.1728
Trichomonas vaginalis diacylglycerol kinase, epsilon, putative 0.0014 0.0203 0.0838
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0065 0.0065
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.009 0.1898 0.1898
Echinococcus granulosus ceramide kinase 0.0014 0.0203 0.0203
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0624 0.0624
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0006 0.0013 0.0013
Schistosoma mansoni smad1 5 8 and 0.0008 0.0065 0.0082
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0058 0.118 0.118
Onchocerca volvulus 0.0014 0.0203 0.0538
Echinococcus multilocularis muscleblind protein 0.0454 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0229 0.0229
Brugia malayi Diacylglycerol kinase protein 2 0.0014 0.0203 0.0203
Schistosoma mansoni diacylglycerol kinase theta 0.0014 0.0203 0.0255
Schistosoma mansoni cpg binding protein 0.0033 0.0628 0.0791
Schistosoma mansoni hypothetical protein 0.0012 0.0152 0.0191
Brugia malayi MH1 domain containing protein 0.0008 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0048 0.0964 0.0964
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0014 0.0203 0.0255
Loa Loa (eye worm) hypothetical protein 0.0011 0.0124 0.0124
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0124 0.0124
Brugia malayi hypothetical protein 0.0014 0.0203 0.0203
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.009 0.1898 0.1898
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0124 0.0124
Trichomonas vaginalis bmru protein, putative 0.0014 0.0203 0.0838
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0063 0.0063
Echinococcus multilocularis muscleblind protein 1 0.0454 1 1
Mycobacterium ulcerans hypothetical protein 0.0361 0.7932 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0065 0.0065
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0124 0.0124
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0229 0.0229
Mycobacterium ulcerans aldehyde dehydrogenase 0.0058 0.118 0.1265
Onchocerca volvulus 0.0174 0.3763 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0203 0.0203
Schistosoma mansoni hypothetical protein 0.0015 0.0229 0.0289
Trypanosoma cruzi polo-like protein kinase, putative 0.009 0.1898 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0058 0.118 0.1265
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0124 0.0124
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0124 0.0156
Brugia malayi steroid hormone receptor 0.0011 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0454 1 1
Loa Loa (eye worm) Smad1 0.0008 0.0065 0.0065
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0229 0.0229
Schistosoma mansoni aldehyde dehydrogenase 0.0058 0.118 0.1488
Schistosoma mansoni smad 0.0008 0.0065 0.0082
Echinococcus granulosus smad 0.0008 0.0065 0.0065
Echinococcus multilocularis Diacylglycerol kinase theta 0.0014 0.0203 0.0203
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0058 0.118 0.5768
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0015 0.0229 0.0229
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0196 0.0196
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0102 0.2159 0.2159
Schistosoma mansoni kinase 0.0046 0.091 0.1147
Loa Loa (eye worm) hypothetical protein 0.0025 0.0452 0.0452
Loa Loa (eye worm) hypothetical protein 0.0011 0.0124 0.0124
Echinococcus multilocularis ceramide kinase 0.0014 0.0203 0.0203
Brugia malayi nuclear hormone receptor 0.0011 0.0124 0.0124
Schistosoma mansoni Smad4 0.0008 0.0065 0.0082
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0102 0.2159 0.2159
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0124 0.0124
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0474 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0124 0.0329
Schistosoma mansoni cpg binding protein 0.0031 0.0588 0.0741
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.2159 0.2722
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0065 0.0065
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0014 0.0203 0.0838
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0124 0.0124
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0124 0.0156
Schistosoma mansoni smad1 5 8 and 0.0008 0.0065 0.0082

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 99 % Compound was tested for serum protein binding in human blood ChEMBL. 1635063
Activity (functional) = 99 % Compound was tested for serum protein binding in human blood ChEMBL. 1635063
AUC (ADMET) = 238.5 mg hr-1 l-1 Serum AUC in marmosets (IV dose) ChEMBL. 1635063
MIC (functional) < 0.008 ug ml-1 Compound was tested for antimicrobial activity against Pseudomonas aeruginosa constitutive derepressed type I beta-lactamase producer (18SH) strain ChEMBL. 1635063
MIC (functional) < 0.008 ug ml-1 Compound was tested for antimicrobial activity against Escherichia coli DC0 strain (parent organism) ChEMBL. 1635063
MIC (functional) = 0.008 ug ml-1 Compound was tested for antimicrobial activity against Escherichia coli DC2 strain (permeability mutant) ChEMBL. 1635063
MIC (functional) < 0.008 ug ml-1 Compound was tested for antimicrobial activity against Escherichia coli DC0 strain (parent organism) ChEMBL. 1635063
MIC (functional) = 0.008 ug ml-1 Compound was tested for antimicrobial activity against Escherichia coli DC2 strain (permeability mutant) ChEMBL. 1635063
MIC (functional) = 0.06 ug ml-1 Compound was tested for antimicrobial activity against Pseudomonas aeruginosa PU21 strain ChEMBL. 1635063
MIC (functional) = 0.06 ug ml-1 Compound was tested for antimicrobial activity against Enterobacter cloacae inducible type I beta-lactamase producer (P99-) strain ChEMBL. 1635063
MIC (functional) = 0.25 ug ml-1 Compound was tested for antimicrobial activity against Enterobacter cloacae constitutive derepressed type I beta-lactamase producer (P99+) strain ChEMBL. 1635063
MIC (functional) = 16 ug ml-1 Compound was tested for antimicrobial activity against Staphylococcus aureus Oxford strain ChEMBL. 1635063
MIC (functional) = 16 ug ml-1 Compound was tested for antimicrobial activity against Staphylococcus aureus penicillin sensitive S. aureus (147N) strain ChEMBL. 1635063
PD50 (functional) = 0.01 mg kg-1 Compound was evaluated in vivo for antibacterial activity against P. aeruginosa (strain 101010) in mice ChEMBL. 1635063
PD50 (functional) = 0.01 mg kg-1 Compound was evaluated in vivo for antibacterial activity against P. aeruginosa (strain 101010) in mice ChEMBL. 1635063
pKa = 7.2 Dissociation constant (pKa) ChEMBL. 1635063
Recovery (ADMET) = 17.5 % Urinary recovery in marmosets (IV dose) ChEMBL. 1635063
T1/2 (ADMET) = 3.5 hr Serum T1/2 in marmosets (IV dose) ChEMBL. 1635063

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

1 literature reference was collected for this gene.

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