Detailed information for compound 81791

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 746.896 | Formula: C30H50N8O10S2
  • H donors: 8 H acceptors: 10 LogP: -6.06 Rotable bonds: 25
    Rule of 5 violations (Lipinski): 3
  • SMILES: NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)C(C)C)CSSC[C@@H](C(=O)N[C@@H](C(=O)O)C(C)C)NC(=O)[C@@H]1CCCN1C(=O)CN
  • InChi: 1S/C30H50N8O10S2/c1-15(2)23(29(45)46)35-25(41)17(33-27(43)19-7-5-9-37(19)21(39)11-31)13-49-50-14-18(26(42)36-24(16(3)4)30(47)48)34-28(44)20-8-6-10-38(20)22(40)12-32/h15-20,23-24H,5-14,31-32H2,1-4H3,(H,33,43)(H,34,44)(H,35,41)(H,36,42)(H,45,46)(H,47,48)/t17-,18-,19-,20-,23+,24+/m0/s1
  • InChiKey: BCEGSOPFUZWTIZ-KHTMQFLISA-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
Mycobacterium ulcerans glutaminase 0.0275 0.0908 0.0885
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.0155 0.1712
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0048 0.0464
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.0012 0.0137
Echinococcus granulosus Squalene phytoene synthase 0.0079 0.0185 0.4271
Brugia malayi bZIP transcription factor family protein 0.0085 0.0207 0.1311
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0091 0.0232 0.3553
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0079 0.0503
Brugia malayi Nuclear hormone receptor family member nhr-1 0.006 0.0116 0.0737
Trypanosoma cruzi squalene synthase, putative 0.0252 0.0824 1
Echinococcus granulosus single minded 2 0.0035 0.0025 0.0583
Echinococcus multilocularis carbonic anhydrase 0.0031 0.001 0.0159
Loa Loa (eye worm) hypothetical protein 0.006 0.0116 0.0737
Schistosoma mansoni hypothetical protein 0.0069 0.0149 0.1638
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.006 0.0116 0.0737
Toxoplasma gondii ATP-citrate lyase, putative 0.0155 0.0466 1
Brugia malayi nuclear receptor RXR 0.0032 0.0012 0.0079
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0091 0.0232 0.3553
Loa Loa (eye worm) hypothetical protein 0.006 0.0116 0.0737
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0032 0.0012 0.019
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0091 0.0232 0.2729
Loa Loa (eye worm) hypothetical protein 0.0032 0.0012 0.0079
Loa Loa (eye worm) hypothetical protein 0.0031 0.001 0.0066
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.006 0.0116 0.1281
Brugia malayi hypoxia-induced factor 1 0.0147 0.0436 0.2764
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0031 0.001 0.0066
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0146 0.0434 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0054 0.0955
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0071 0.0155 0.2377
Brugia malayi Nuclear hormone receptor family member nhr-31 0.006 0.0116 0.0737
Schistosoma mansoni thyroid hormone receptor 0.0206 0.0654 0.7203
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0054 0.0067
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0032 0.0012 0.0287
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0011 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-40 0.006 0.0116 0.0737
Schistosoma mansoni thyroid hormone receptor 0.0206 0.0654 0.7203
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0048 0.0464
Echinococcus granulosus FTZ F1 alpha 0.006 0.0116 0.2682
Echinococcus granulosus carbonic anhydrase 0.0031 0.001 0.024
Schistosoma mansoni retinoid-x-receptor (RXR) 0.006 0.0116 0.1281
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0021 0.0136
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0048 0.0464
Brugia malayi Nuclear hormone receptor family member nhr-25 0.006 0.0116 0.0737
Schistosoma mansoni hypothetical protein 0.0079 0.0185 0.2041
Echinococcus granulosus fructose bisphosphate aldolase class I 0.0091 0.0232 0.5357
Schistosoma mansoni single-minded 0.0047 0.0071 0.0778
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.006 0.0116 0.1779
Brugia malayi hypothetical protein 0.0032 0.0012 0.0079
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0091 0.0232 0.2559
Brugia malayi nuclear hormone receptor 0.006 0.0116 0.0737
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0012 0.0079
Loa Loa (eye worm) hypothetical protein 0.0031 0.0011 0.0071
Leishmania major fructose-1,6-bisphosphate aldolase 0.0091 0.0232 0.2729
Mycobacterium tuberculosis 3-dehydroquinate dehydratase AroD (AROQ) (3-dehydroquinase) (type II dhqase) 0.2747 1 1
Loa Loa (eye worm) glutaminase 0.0275 0.0908 0.5752
Brugia malayi ATP-citrate synthase 0.0155 0.0466 0.2951
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0091 0.0232 0.4875
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0048 0.0023
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0091 0.0232 0.5357
Schistosoma mansoni carbonic anhydrase-related 0.0031 0.001 0.0115
Loa Loa (eye worm) fructose-bisphosphate aldolase 1 0.0091 0.0232 0.1472
Trypanosoma brucei DNA polymerase IV, putative 0.0035 0.0024 0.0163
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.006 0.0116 0.2682
Onchocerca volvulus 0.0066 0.014 0.7567
Brugia malayi Nuclear hormone receptor family member nhr-14 0.006 0.0116 0.0737
Echinococcus multilocularis carbonic anhydrase 0.0031 0.001 0.0159
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0091 0.0232 0.5357
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.006 0.0116 0.2682
Toxoplasma gondii aldehyde dehydrogenase 0.0071 0.0155 0.3185
Brugia malayi fructose-bisphosphate aldolase 1 0.0091 0.0232 0.1472
Brugia malayi Steroid receptor seven-up type 2 0.006 0.0116 0.0737
Loa Loa (eye worm) carbonic anhydrase 3 0.0031 0.001 0.0066
Brugia malayi Nuclear hormone receptor family member nhr-49 0.006 0.0116 0.0737
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0048 0.0023
Echinococcus granulosus ecdysone induced protein 78C 0.006 0.0116 0.2682
Echinococcus granulosus jun protein 0.0085 0.0207 0.4771
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0031 0.001 0.0115
Loa Loa (eye worm) hypothetical protein 0.006 0.0116 0.0737
Schistosoma mansoni aryl hydrocarbon receptor 0.0047 0.0071 0.0778
Loa Loa (eye worm) hypothetical protein 0.0032 0.0012 0.0079
Schistosoma mansoni coup transcription factor 0.006 0.0116 0.1281
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.0155 0.1712
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.006 0.0116 0.1779
Brugia malayi steroid hormone receptor 0.006 0.0116 0.0737
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.006 0.0116 0.1779
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0032 0.0012 0.0137
Brugia malayi Nuclear hormone receptor family member nhr-25 0.006 0.0116 0.0737
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0048 0.0464
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0041 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.006 0.0116 0.6278
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0048 0.0464
Brugia malayi fructose-bisphosphate aldolase 2 0.0091 0.0232 0.1472
Schistosoma mansoni hypothetical protein 0.0034 0.0021 0.0236
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0146 0.0434 0.6633
Schistosoma mansoni RAR-like nuclear receptor 0.006 0.0116 0.1281
Brugia malayi Nuclear hormone receptor-like 1 0.006 0.0116 0.0737
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.006 0.0116 0.1281
Brugia malayi glutaminase DH11.1 0.0275 0.0908 0.5752
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.006 0.0116 0.1779
Brugia malayi photoreceptor-specific nuclear receptor 0.006 0.0116 0.0737
Echinococcus multilocularis carbonic anhydrase II 0.0031 0.001 0.0159
Brugia malayi follicle stimulating hormone receptor 0.0457 0.1578 1
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0091 0.0232 0.4875
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0032 0.0012 0.0079
Schistosoma mansoni glutaminase 0.0275 0.0908 1
Mycobacterium ulcerans phytoene synthase, CrtB 0.0079 0.0185 0.016
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0031 0.001 0.0066
Plasmodium vivax fructose 1,6-bisphosphate aldolase, putative 0.0091 0.0232 1
Schistosoma mansoni carbonic anhydrase 0.0031 0.001 0.0115
Echinococcus multilocularis ecdysone induced protein 78C 0.006 0.0116 0.1779
Toxoplasma gondii fructose-bisphosphate aldolase, putative 0.0091 0.0232 0.4875
Echinococcus granulosus carbonic anhydrase II 0.0031 0.001 0.024
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.0079 0.0185 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0071 0.0155 0.3584
Schistosoma mansoni jun-related protein 0.0069 0.0149 0.1638
Echinococcus granulosus nuclear receptor 2DBD gamma 0.006 0.0116 0.2682
Echinococcus multilocularis FTZ F1 alpha 0.006 0.0116 0.1779
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0457 0.1578 1
Echinococcus multilocularis dna polymerase kappa 0.0041 0.0048 0.0736
Echinococcus multilocularis Squalene phytoene synthase 0.0079 0.0185 0.2833
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0048 0.0464
Echinococcus multilocularis carbonic anhydrase 0.0031 0.001 0.0159
Loa Loa (eye worm) hypothetical protein 0.0079 0.0185 0.1174
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0048 0.0464
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0079 0.0503
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0091 0.0232 0.5357
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.006 0.0116 0.2682
Brugia malayi Nuclear hormone receptor family member nhr-3 0.006 0.0116 0.0737
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0048 0.0464
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0054 0.1242
Echinococcus multilocularis thyroid hormone receptor alpha 0.0206 0.0654 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0054 0.0955
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0048 0.0464
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0091 0.0232 0.2559
Echinococcus granulosus dna polymerase kappa 0.0041 0.0048 0.111
Echinococcus granulosus retinoic acid receptor rxr beta a 0.006 0.0116 0.2682
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.006 0.0116 0.0737
Brugia malayi Nuclear hormone receptor family member nhr-19 0.006 0.0116 0.0737
Schistosoma mansoni steroid hormone receptor ad4bp 0.006 0.0116 0.1281
Schistosoma mansoni hypothetical protein 0.0146 0.0434 0.4778
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0155 0.013
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0155 0.013
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0085 0.0207 0.3165
Schistosoma mansoni nuclear hormone receptor 0.006 0.0116 0.1281
Echinococcus multilocularis jun protein 0.0085 0.0207 0.3165
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0012 0.0079
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0155 0.013
Loa Loa (eye worm) hypothetical protein 0.0034 0.0021 0.0136
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0031 0.001 0.0066
Loa Loa (eye worm) steroid hormone receptor 0.006 0.0116 0.0737
Loa Loa (eye worm) hypothetical protein 0.0032 0.0012 0.0079
Schistosoma mansoni ATP-citrate synthase 0.0136 0.0396 0.4361
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.006 0.0116 0.1779
Onchocerca volvulus 0.0035 0.0025 0.1365
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0091 0.0232 0.3553
Brugia malayi Cytochrome P450 family protein 0.0048 0.0073 0.0463
Leishmania major squalene synthase, putative 0.0252 0.0824 1
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0091 0.0232 0.2729
Loa Loa (eye worm) hypothetical protein 0.0159 0.0482 0.3051
Loa Loa (eye worm) glutaminase 2 0.0275 0.0908 0.5752
Echinococcus granulosus histone acetyltransferase KAT2B 0.0142 0.0418 0.9626
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0041 0.1367
Brugia malayi hypothetical protein 0.0036 0.0029 0.0186
Brugia malayi PAS domain containing protein 0.0047 0.0071 0.0448
Schistosoma mansoni Tr4/Tr2 (homologue) 0.006 0.0116 0.1281
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0054 0.0067
Brugia malayi nuclear receptor NHR-88 0.006 0.0116 0.0737
Loa Loa (eye worm) hypothetical protein 0.006 0.0116 0.0737
Brugia malayi ecdysteroid receptor 0.006 0.0116 0.0737
Brugia malayi bHLH-PAS transcription factor 0.0035 0.0025 0.016
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0091 0.0232 0.2729
Loa Loa (eye worm) hypothetical protein 0.0032 0.0012 0.0079
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0091 0.0232 0.2729
Onchocerca volvulus Protein ultraspiracle homolog 0.006 0.0116 0.6278
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0029 0.0675
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.0079 0.0185 0.003
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0031 0.001 0.0066
Brugia malayi hypothetical protein 0.0066 0.014 0.0888
Trichomonas vaginalis glutaminase, putative 0.0275 0.0908 1
Schistosoma mansoni hypothetical protein 0.0031 0.001 0.0115
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0041 1
Schistosoma mansoni retinoic acid receptor RXR 0.006 0.0116 0.1281
Trypanosoma brucei squalene synthase, putative 0.0252 0.0824 1
Trypanosoma cruzi squalene synthase, putative 0.0252 0.0824 1
Brugia malayi acetyltransferase, GNAT family protein 0.0146 0.0433 0.2741
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0029 0.0323
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0071 0.0155 0.1783
Brugia malayi Nuclear hormone receptor family member nhr-41 0.006 0.0116 0.0737
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 0.0073 0.0463
Echinococcus granulosus carbonic anhydrase 0.0031 0.001 0.024
Loa Loa (eye worm) acetyltransferase 0.0146 0.0433 0.2741
Trypanosoma brucei unspecified product 0.0035 0.0024 0.0163
Loa Loa (eye worm) hypothetical protein 0.005 0.0079 0.0503
Loa Loa (eye worm) hypoxia-induced factor 1 0.0147 0.0436 0.2764
Brugia malayi polk-prov protein 0.0031 0.0011 0.0071
Loa Loa (eye worm) hypothetical protein 0.0031 0.001 0.0066
Trypanosoma brucei fructose-bisphosphate aldolase, glycosomal, putative 0.0091 0.0232 0.2729
Brugia malayi hypothetical protein 0.0159 0.0482 0.3051
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0031 0.001 0.0066
Loa Loa (eye worm) hypothetical protein 0.006 0.0116 0.0737
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.0025 0.0387
Loa Loa (eye worm) hypothetical protein 0.0031 0.001 0.0066
Mycobacterium ulcerans 3-dehydroquinate dehydratase 0.2747 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.006 0.0116 0.1281
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0011 0.0009
Schistosoma mansoni carbonic anhydrase-related 0.0031 0.001 0.0115
Loa Loa (eye worm) hypothetical protein 0.006 0.0116 0.0737
Onchocerca volvulus Bile acid receptor homolog 0.006 0.0116 0.6278
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.006 0.0116 0.1281
Echinococcus granulosus nuclear receptor 2DBD gamma 0.006 0.0116 0.2682
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0031 0.001 0.0066
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0048 0.0464
Loa Loa (eye worm) fructose-bisphosphate aldolase 2 0.0091 0.0232 0.1472
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.006 0.0116 0.0737
Loa Loa (eye worm) hypothetical protein 0.0032 0.0012 0.0079
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0031 0.001 0.0066
Schistosoma mansoni hypothetical protein 0.0036 0.0029 0.0323
Loa Loa (eye worm) ATP-citrate synthase 0.0155 0.0466 0.2951
Echinococcus multilocularis fructose bisphosphate aldolase class I 0.0091 0.0232 0.3553
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0048 0.0464
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0146 0.0433 0.6615
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.006 0.0116 0.0737
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0079 0.0503
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.006 0.0116 0.0737
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0031 0.001 0.0066
Loa Loa (eye worm) hypothetical protein 0.006 0.0116 0.0737
Trypanosoma cruzi phytoene synthase, putative 0.0079 0.0185 0.215
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0085 0.0207 0.4771
Loa Loa (eye worm) hypothetical protein 0.0082 0.0198 0.1257
Brugia malayi hypothetical protein 0.0032 0.0012 0.0079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.006 0.0116 0.0737
Onchocerca volvulus 0.006 0.0116 0.6278
Echinococcus granulosus carbonic anhydrase 0.0031 0.001 0.024
Brugia malayi Nuclear hormone receptor family member nhr-19 0.006 0.0116 0.0737
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.006 0.0116 0.1779
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0048 0.0464
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.006 0.0116 0.0737
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0029 0.0448
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0031 0.001 0.0066
Loa Loa (eye worm) hypothetical protein 0.006 0.0116 0.0737
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0048 0.0464
Plasmodium falciparum fructose-bisphosphate aldolase 0.0091 0.0232 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.006 0.0116 0.0737
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0146 0.0433 0.4765
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0048 0.0464
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0048 0.0464
Schistosoma mansoni carbonic anhydrase-related 0.0031 0.001 0.0115
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.006 0.0116 0.2682
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.006 0.0116 0.0737
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0031 0.001 0.0115
Leishmania major hypothetical protein, conserved 0.0079 0.0185 0.215

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Anti-micrococcus luteus activity was tested for inhibition of isopenicillin N synthetase. ChEMBL. 1588566
Activity (binding) no 0 Anti-micrococcus luteus activity was tested for inhibition of isopenicillin N synthetase. ChEMBL. 1588566
Antibiotic activity (functional) no 0 Antibiotic activity against Micrococcus luteus (ATCC 9341 strain) ChEMBL. 1588566
Beta-lactamase induction (binding) Beta-lactamase induction in B. licheniformis ChEMBL. 1588566
Beta-lactamase induction (binding) 0 Beta-lactamase induction in B. licheniformis ChEMBL. 1588566

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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