Detailed information for compound 310206

Basic information

Technical information
  • TDR Targets ID: 310206
  • Name: [(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3 -b]furan-3-yl] N-[(2S,3R)-4-[(3-aminophenyl)s ulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-ph enylbutan-2-yl]carbamate
  • MW: 547.664 | Formula: C27H37N3O7S
  • H donors: 3 H acceptors: 4 LogP: 2.94 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(CN(S(=O)(=O)c1cccc(c1)N)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)C
  • InChi: 1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-6-9-20(28)14-21)16-24(31)23(13-19-7-4-3-5-8-19)29-27(32)37-25-17-36-26-22(25)11-12-35-26/h3-10,14,18,22-26,31H,11-13,15-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1
  • InChiKey: JXFFPHRWYOBZEC-HEXNFIEUSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] N-[(1S,2R)-3-[(3-aminophenyl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]carbamate
  • N-[(1S,2R)-3-[(3-aminophenyl)sulfonyl-isobutylamino]-1-benzyl-2-hydroxypropyl]carbamic acid [(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] ester
  • [(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] N-[(2S,3R)-4-[(3-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenyl-butan-2-yl]carbamate
  • N-[(1S,2R)-3-[(3-aminophenyl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]carbamic acid [(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] ester
  • [(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] N-[(2S,3R)-4-[(3-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
  • [(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] N-[(1S,2R)-3-[(3-aminophenyl)sulfonyl-isobutyl-amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate
  • N-[(1S,2R)-3-[(3-aminophenyl)sulfonyl-isobutylamino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid [(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] ester
  • N-[(1S,2R)-3-[(3-aminophenyl)sulfonyl-isobutyl-amino]-1-(benzyl)-2-hydroxy-propyl]carbamic acid [(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] ester
  • [(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] N-[(2S,3R)-4-[(3-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenyl-butan-2-yl]carbamate
  • AIDS-226984
  • AIDS226984
  • Carbamic acid, [(1S,2R)-3-[[(3-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester

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 Protein kinase domain containing protein 0.0016 0.0128 0.0151
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0054 0.0005
Brugia malayi Cytochrome P450 family protein 0.0036 0.0356 0.0597
Schistosoma mansoni hypothetical protein 0.0012 0.0075 0.008
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0016 0.012 0.0154
Brugia malayi Ets-domain containing protein 0.0079 0.0842 0.1545
Echinococcus granulosus ETS transcription factor Elf 5 0.0012 0.0075 0.0106
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0016 0.012 0.0154
Schistosoma mansoni serine/threonine protein kinase 0.0098 0.1051 0.3811
Trichomonas vaginalis methylated-DNA--protein-cysteine methyltransferase, putative 0.0134 0.1458 0.4971
Entamoeba histolytica hypothetical protein 0.0098 0.1051 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0315 0.0997
Echinococcus multilocularis lamin dm0 0.003 0.0279 0.0226
Brugia malayi transcription factor E74 isoform 0.0012 0.0075 0.0046
Loa Loa (eye worm) hypothetical protein 0.0014 0.0106 0.0144
Echinococcus multilocularis lamin 0.003 0.0279 0.0226
Brugia malayi follicle stimulating hormone receptor 0.0256 0.2843 0.5451
Treponema pallidum methylated-DNA-protein-cysteine S-methyltransferase (dat) 0.0134 0.1458 0.5
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0016 0.012 0.0154
Loa Loa (eye worm) hypothetical protein 0.0029 0.0273 0.058
Loa Loa (eye worm) hypothetical protein 0.0016 0.0124 0.0192
Echinococcus granulosus ETS domain containing protein Elk 1 0.0012 0.0075 0.0106
Brugia malayi Pre-SET motif family protein 0.0228 0.2525 0.483
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0016 0.012 0.0154
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0016 0.012 0.0249
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0054 0.1703
Mycobacterium tuberculosis Methylated-DNA--protein-cysteine methyltransferase Ogt (6-O-methylguanine-DNA methyltransferase) (O-6-methylguanine-DNA-alkyltra 0.0407 0.4545 1
Onchocerca volvulus 0.0033 0.0315 0.0931
Echinococcus granulosus ewsr:fli fusion protein type 0.0012 0.0075 0.0106
Loa Loa (eye worm) hypothetical protein 0.0068 0.0712 0.1728
Loa Loa (eye worm) hypothetical protein 0.0012 0.0075 0.0062
Trypanosoma cruzi cytochrome P450, putative 0.0025 0.0229 0.1041
Leishmania major cytochrome p450-like protein 0.0016 0.012 0.0249
Loa Loa (eye worm) cytochrome P450 0.0016 0.012 0.0181
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0315 0.131
Trypanosoma cruzi O-6 methyl-guanine alkyl transferase, putative 0.0134 0.1458 1
Trichomonas vaginalis set domain proteins, putative 0.026 0.2882 1
Schistosoma mansoni hypothetical protein 0.0186 0.2046 0.7612
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0016 0.012 0.0154
Brugia malayi DNA-binding protein D-ETS-3 0.0012 0.0075 0.0046
Trypanosoma brucei cytochrome P450, putative 0.0025 0.0229 0.1479
Loa Loa (eye worm) hypothetical protein 0.003 0.0279 0.0596
Echinococcus multilocularis GA binding protein alpha chain 0.0079 0.0842 0.0793
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0301 0.1242
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0016 0.012 0.0354
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0012 0.0075 0.0021
Trichomonas vaginalis DNA helicase recq, putative 0.0012 0.0086 0.0123
Schistosoma mansoni cytochrome P450 0.0016 0.012 0.0253
Echinococcus multilocularis geminin 0.0186 0.2046 0.2003
Loa Loa (eye worm) RecQ helicase 0.0023 0.0209 0.0413
Loa Loa (eye worm) hypothetical protein 0.0014 0.01 0.0128
Schistosoma mansoni hypothetical protein 0.0016 0.0123 0.0264
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0016 0.0123 0.0069
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0016 0.012 0.0154
Brugia malayi Pre-SET motif family protein 0.0033 0.0315 0.0515
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0025 0.0229 0.0395
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0016 0.012 0.0154
Echinococcus granulosus cytochrome P450 2K1 0.0016 0.012 0.0333
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0016 0.012 0.0154
Schistosoma mansoni ets-related 0.0012 0.0075 0.008
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0016 0.012 0.0154
Schistosoma mansoni hypothetical protein 0.0016 0.012 0.0253
Echinococcus granulosus netrin receptor unc 5 0.0016 0.0123 0.0347
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0279 0.0596
Loa Loa (eye worm) hypothetical protein 0.0019 0.0155 0.0273
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0054 0.0005
Brugia malayi Cytochrome P450 family protein 0.0016 0.012 0.0135
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0153 0.0381
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0229 0.0464
Echinococcus granulosus ETS transcription factor Elf 2 0.0012 0.0075 0.0106
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0356 0.0799
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0315 0.0997
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0016 0.012 0.0154
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0016 0.012 0.0154
Loa Loa (eye worm) hypothetical protein 0.0097 0.1045 0.2598
Schistosoma mansoni ankyrin 23/unc44 0.0016 0.0123 0.0264
Echinococcus granulosus lamin 0.003 0.0279 0.113
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.0209 0.0309
Entamoeba histolytica protein kinase domain containing protein 0.0098 0.1051 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0054 0.0007
Schistosoma mansoni elf1 0.0012 0.0075 0.008
Loa Loa (eye worm) fli-1 protein 0.0241 0.2671 0.6845
Echinococcus granulosus GA binding protein alpha chain 0.0079 0.0842 0.396
Mycobacterium ulcerans methylated-DNA--protein-cysteine methyltransferase Ogt 0.0407 0.4545 1
Brugia malayi Cytochrome P450 family protein 0.0025 0.0229 0.0347
Trichomonas vaginalis DNA helicase recq1, putative 0.0023 0.0209 0.0559
Schistosoma mansoni lamin 0.003 0.0279 0.086
Loa Loa (eye worm) CYP4Cod1 0.0025 0.0229 0.0464
Brugia malayi Ets-domain containing protein 0.0079 0.0842 0.1545
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0054 0.1703
Brugia malayi intermediate filament protein 0.003 0.0279 0.0445
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.0209 0.0559
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0079 0.0842 0.2068
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0315 0.0262
Loa Loa (eye worm) hypothetical protein 0.0014 0.01 0.0128
Leishmania major cytochrome p450-like protein 0.0016 0.012 0.0249
Echinococcus multilocularis protein C ets 2 0.0012 0.0075 0.0021
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0229 0.0464
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0256 0.2843 0.7296
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0016 0.012 0.0154
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0123 0.014
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0123 0.0142
Brugia malayi Protein kinase domain containing protein 0.0098 0.1051 0.1952
Loa Loa (eye worm) ets-domain-containing protein 0.0012 0.0075 0.0062
Trypanosoma brucei hypothetical protein, conserved 0.0054 0.056 0.4912
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0016 0.012 0.0154
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0315 0.0997
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0315 0.0262
Schistosoma mansoni intermediate filament proteins 0.003 0.0279 0.086
Loa Loa (eye worm) intermediate filament protein 0.003 0.0279 0.0596
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0098 0.1051 0.7035
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0016 0.012 0.0154
Echinococcus multilocularis netrin receptor unc 5 0.0016 0.0123 0.0069
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0016 0.0123 0.0347
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0016 0.012 0.0154
Loa Loa (eye worm) hypothetical protein 0.0348 0.3878 1
Schistosoma mansoni hypothetical protein 0.0186 0.2046 0.7612
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0098 0.1051 0.7035
Loa Loa (eye worm) hypothetical protein 0.0012 0.0075 0.0062
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0016 0.012 0.0154
Brugia malayi cytochrome P450 0.0016 0.012 0.0135
Echinococcus granulosus nuclear factor of activated T cells 5 0.0081 0.0858 0.4036
Entamoeba histolytica protein kinase, putative 0.0098 0.1051 1
Brugia malayi Fli-1 protein 0.0241 0.2671 0.5114
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0016 0.012 0.0154
Loa Loa (eye worm) hypothetical protein 0.001 0.0053 0.0006
Echinococcus granulosus ETS transcription factor Elf 1 0.0012 0.0075 0.0106
Echinococcus multilocularis musashi 0.003 0.0279 0.0226
Schistosoma mansoni ets 0.0012 0.0075 0.008
Echinococcus multilocularis 0.0016 0.012 0.0067
Echinococcus granulosus bloom syndrome protein 0.0023 0.0209 0.078
Plasmodium vivax SET domain protein, putative 0.0033 0.0315 1
Onchocerca volvulus 0.003 0.0279 0.0805
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0121 0.3851
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0016 0.012 0.0154
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0016 0.0123 0.0188
Schistosoma mansoni lamin 0.003 0.0279 0.086
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0016 0.012 0.0154
Echinococcus granulosus death domain containing protein 0.0016 0.0123 0.0347
Mycobacterium leprae PROBABLE METHYLATED-DNA--PROTEIN-CYSTEINE METHYLTRANSFERASE OGT (6-O-methylguanine-DNA methyltransferase) (O-6-methylguanine-DNA 0.0407 0.4545 1
Echinococcus multilocularis ETS transcription factor Elf 2 0.0012 0.0075 0.0021
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0081 0.0858 0.0808
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0016 0.012 0.0154
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0016 0.012 0.0154
Echinococcus granulosus geminin 0.0186 0.2046 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0016 0.012 0.0154
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0123 0.019
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0228 0.2525 0.6465
Brugia malayi Death domain containing protein 0.0016 0.0123 0.014
Echinococcus multilocularis ewsr:fli fusion protein type 0.0012 0.0075 0.0021
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.0054 0.0007
Onchocerca volvulus 0.026 0.2883 1
Brugia malayi Cytochrome P450 family protein 0.0025 0.0229 0.0347
Onchocerca volvulus 0.003 0.0279 0.0805
Schistosoma mansoni netrin receptor unc5 0.0016 0.0123 0.0264
Echinococcus multilocularis ets variant gene 4 0.0012 0.0075 0.0021
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0012 0.0075 0.008
Mycobacterium ulcerans DNA-methyltransferase (modification methylase) 0.0054 0.056 0.1133
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0315 1
Entamoeba histolytica recQ family helicase, putative 0.0012 0.0086 0.0815
Chlamydia trachomatis methylated-DNA protein-cysteine methyltransferase 0.0134 0.1458 0.5
Toxoplasma gondii cytochrome p450 superfamily protein 0.0016 0.012 0.3811
Brugia malayi hypothetical protein 0.0133 0.1454 0.2739
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0012 0.0075 0.0062
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0016 0.012 0.0154
Echinococcus multilocularis Ankyrin 0.0016 0.0124 0.0071
Loa Loa (eye worm) D-ets-2 protein 0.0012 0.0075 0.0062
Echinococcus granulosus lamin dm0 0.003 0.0279 0.113
Echinococcus granulosus dual specificity 0.0098 0.1051 0.5007
Schistosoma mansoni ets-related 0.0241 0.2671 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0016 0.012 0.0154
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0016 0.012 0.0249
Echinococcus multilocularis ETS transcription factor Elf 5 0.0012 0.0075 0.0021
Echinococcus multilocularis ETS transcription factor Elf 1 0.0012 0.0075 0.0021
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0098 0.1051 0.7035
Echinococcus multilocularis bloom syndrome protein 0.0023 0.0209 0.0156
Trypanosoma cruzi cytochrome P450, putative 0.0025 0.0229 0.1041
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0016 0.012 0.0154
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0016 0.012 0.0154
Schistosoma mansoni hypothetical protein 0.0012 0.0075 0.008
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0016 0.012 0.0154
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0016 0.012 0.0154
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0016 0.012 0.0154
Echinococcus multilocularis dual specificity 0.0098 0.1051 0.1003
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0016 0.012 0.0249
Loa Loa (eye worm) hypothetical protein 0.0097 0.1045 0.2598
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0106 0.0052
Leishmania major hypothetical protein, conserved 0.0134 0.1458 1
Echinococcus multilocularis ETS transcription factor Elf 2 0.0012 0.0075 0.0021
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0012 0.0075 0.0062
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0016 0.012 0.0154
Brugia malayi Serotonin receptor 0.0462 0.5174 1
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0016 0.012 0.0154
Trypanosoma cruzi O-6 methyl-guanine alkyl transferase, putative 0.0134 0.1458 1
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0098 0.1051 1
Schistosoma mansoni gabp alpha 0.0079 0.0842 0.3014
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0016 0.012 0.0154
Brugia malayi Ets-domain containing protein 0.0012 0.0075 0.0046
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0016 0.012 0.0154
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0016 0.012 0.0154
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0016 0.0124 0.027
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0016 0.012 0.0154
Onchocerca volvulus Netrin receptor homolog 0.0016 0.0123 0.0254
Entamoeba histolytica protein kinase, putative 0.0098 0.1051 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0016 0.012 0.0154
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.0054 1
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0279 0.0445
Leishmania major cytochrome p450-like protein 0.0025 0.0229 0.1041
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0177 1
Echinococcus granulosus Ankyrin 0.0016 0.0124 0.0354
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0098 0.1051 0.2613
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0106 0.0262
Brugia malayi Uncoordinated protein 44 0.0016 0.0123 0.014
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0016 0.012 0.0154
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0016 0.012 0.0154
Echinococcus granulosus protein C ets 2 0.0012 0.0075 0.0106
Loa Loa (eye worm) hypothetical protein 0.0033 0.0315 0.0689
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0315 0.0997
Echinococcus granulosus intermediate filament protein 0.003 0.0279 0.113
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0016 0.012 0.0154
Echinococcus granulosus ETS transcription factor Elf 2 0.0012 0.0075 0.0106
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0016 0.012 0.0154
Loa Loa (eye worm) hypothetical protein 0.0016 0.0123 0.0188
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0016 0.012 0.0249

Activities

Activity type Activity value Assay description Source Reference
Log EC50 (functional) = 6.12 Effective concentration of the compound was determined against PI-Resistant HIV strain (M1) ChEMBL. 15771427
Log EC50 (functional) = 7.32 Effective concentration of the compound was determined against PI-Resistant HIV strain (M2) ChEMBL. 15771427
Log EC50 (functional) = 7.37 Effective concentration of the compound was determined as average activity on mutant HIV panel (AVMUT) ChEMBL. 15771427
Log EC50 (functional) = 7.55 Effective concentration of the compound was determined against PI-Resistant HIV strain (M3) ChEMBL. 15771427
Log EC50 (functional) = 7.58 Effective concentration of the compound was determined against PI-Resistant HIV strain (M4) ChEMBL. 15771427
Log EC50 (functional) = 7.58 Effective concentration of the compound was determined against PI-Resistant HIV strain (M5) ChEMBL. 15771427
Log EC50 (functional) = 8.36000000000001 Effective concentration of of the compound was determined against HIV Wild Type (IIIB) strain ChEMBL. 15771427

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.