Detailed information for compound 112191

Basic information

Technical information
  • TDR Targets ID: 112191
  • Name: [4-[(3S)-4-[(1S)-1-[4-(1,3-benzodioxol-5-ylsu lfonyl)phenyl]ethyl]-3-methylpiperazin-1-yl]p iperidin-1-yl]-(2,6-dimethylphenyl)methanone
  • MW: 603.771 | Formula: C34H41N3O5S
  • H donors: 0 H acceptors: 3 LogP: 5.45 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: C[C@H]1CN(CCN1[C@H](c1ccc(cc1)S(=O)(=O)c1ccc2c(c1)OCO2)C)C1CCN(CC1)C(=O)c1c(C)cccc1C
  • InChi: 1S/C34H41N3O5S/c1-23-6-5-7-24(2)33(23)34(38)35-16-14-28(15-17-35)36-18-19-37(25(3)21-36)26(4)27-8-10-29(11-9-27)43(39,40)30-12-13-31-32(20-30)42-22-41-31/h5-13,20,25-26,28H,14-19,21-22H2,1-4H3/t25-,26-/m0/s1
  • InChiKey: UUUTYZGDRKVSOB-UIOOFZCWSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [4-[(3S)-4-[(1S)-1-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]ethyl]-3-methyl-piperazin-1-yl]-1-piperidyl]-(2,6-dimethylphenyl)methanone
  • [4-[(3S)-4-[(1S)-1-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-1-piperidinyl]-(2,6-dimethylphenyl)methanone
  • [4-[(3S)-4-[(1S)-1-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]ethyl]-3-methyl-piperazin-1-yl]piperidin-1-yl]-(2,6-dimethylphenyl)methanone
  • [4-[(3S)-4-[(1S)-1-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]ethyl]-3-methyl-piperazino]piperidino]-(2,6-dimethylphenyl)methanone
  • AIDS-007801
  • AIDS007801
  • Piperazine, 1-[(1S)-1-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]ethyl]-4-[1-(2,6-dimethylbenzoyl)-4-piperidinyl]-2-methyl-, (2S)-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chemokine (C-C motif) receptor 2 Starlite/ChEMBL References
Homo sapiens cholinergic receptor, muscarinic 2 Starlite/ChEMBL References

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
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0449 0.0583
Echinococcus multilocularis muscleblind protein 0.0156 0.2899 0.2899
Mycobacterium tuberculosis Conserved hypothetical protein 0.0028 0.0105 0.0131
Mycobacterium tuberculosis Probable hydrolase 0.0044 0.0449 0.0583
Leishmania major glutaminyl cyclase, putative 0.003 0.0138 0.0175
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0875 0.0875
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0061 0.0827 0.0827
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0061 0.0827 0.0827
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0448 0.0717
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.059 0.059
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.0212 0.0212
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.037 0.7605 1
Schistosoma mansoni lamin 0.0031 0.0167 0.0167
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.017 0.017
Loa Loa (eye worm) leucyl aminopeptidase 0.003 0.0138 0.0138
Onchocerca volvulus 0.0031 0.0167 0.013
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0381 0.0575
Schistosoma mansoni hypothetical protein 0.0132 0.2379 0.2379
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0258 0.5136 0.5136
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0044 0.0449 0.0583
Echinococcus granulosus expressed protein 0.0454 0.9438 0.9438
Mycobacterium leprae conserved hypothetical protein 0.0044 0.0449 1
Echinococcus multilocularis GPCR, family 2 0.0061 0.0827 0.0827
Onchocerca volvulus 0.0031 0.0167 0.013
Brugia malayi FXNA 0.003 0.0138 0.0138
Echinococcus granulosus chromobox protein 1 0.0073 0.1079 0.1079
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.003 0.0138 0.0138
Echinococcus multilocularis tar DNA binding protein 0.0193 0.3707 0.3707
Mycobacterium ulcerans transglutaminase family protein 0.0028 0.0105 0.0131
Mycobacterium ulcerans hypothetical protein 0.0044 0.0449 0.0583
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0043 0.0431 0.0431
Mycobacterium tuberculosis Conserved hypothetical protein 0.0028 0.0105 0.0131
Mycobacterium tuberculosis Conserved protein 0.003 0.0138 0.0175
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0193 0.3707 0.3707
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.007 0.1018 0.1333
Trichomonas vaginalis esterase, putative 0.0044 0.0449 0.0917
Schistosoma mansoni cytochrome P450 0.0024 0.0005 0.0005
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0167 0.0167
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0138 0.0282
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.007 0.1018 0.1018
Leishmania major hypothetical protein, conserved 0.0044 0.0449 0.0583
Schistosoma mansoni hypothetical protein 0.005 0.059 0.059
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.007 0.1018 0.1333
Loa Loa (eye worm) hypothetical protein 0.0032 0.0188 0.0188
Schistosoma mansoni hypothetical protein 0.0061 0.0827 0.0827
Schistosoma mansoni tyrosine kinase 0.048 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.012 0.0246
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.037 0.7605 1
Echinococcus granulosus epidermal growth factor receptor 0.0258 0.5136 0.5136
Brugia malayi Heterochromatin protein 1 0.0073 0.1079 0.1079
Brugia malayi Protein kinase domain containing protein 0.0153 0.2848 0.2848
Schistosoma mansoni survival motor neuron protein 0.005 0.059 0.059
Echinococcus multilocularis muscleblind protein 1 0.0156 0.2899 0.2899
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.0875 0.1145
Mycobacterium ulcerans lipase LipD 0.0044 0.0449 0.0583
Loa Loa (eye worm) hypothetical protein 0.0031 0.0167 0.0167
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.017 0.1899
Schistosoma mansoni lamin 0.0031 0.0167 0.0167
Echinococcus multilocularis lamin 0.0031 0.0167 0.0167
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.037 0.7605 1
Echinococcus multilocularis survival motor neuron protein 1 0.0246 0.4887 0.4887
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.007 0.1018 0.1018
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0875 0.1145
Echinococcus granulosus epidermal growth factor receptor 0.048 1 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0044 0.0449 0.0583
Schistosoma mansoni tyrosine kinase 0.0255 0.5077 0.5077
Giardia lamblia Transglutaminase/protease, putative 0.0028 0.0105 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.017 0.017
Brugia malayi intermediate filament protein 0.0031 0.0167 0.0167
Onchocerca volvulus 0.0044 0.0449 0.0718
Echinococcus multilocularis lamin dm0 0.0031 0.0167 0.0167
Loa Loa (eye worm) hypothetical protein 0.0044 0.0449 0.0449
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.007 0.1018 0.1018
Echinococcus multilocularis epidermal growth factor receptor 0.048 1 1
Toxoplasma gondii ABC1 family protein 0.0044 0.0449 0.5098
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.1617 0.1617
Onchocerca volvulus 0.0043 0.0431 0.068
Loa Loa (eye worm) hypothetical protein 0.0044 0.0449 0.0449
Trypanosoma brucei cytochrome P450, putative 0.0033 0.0212 0.01
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0145 0.0145
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0193 0.3716 0.3716
Schistosoma mansoni hypothetical protein 0.0061 0.0827 0.0827
Mycobacterium ulcerans beta-lactamase 0.0044 0.0449 0.0583
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.037 0.7605 1
Trypanosoma cruzi cytochrome P450, putative 0.0033 0.0212 0.0272
Echinococcus multilocularis beta LACTamase domain containing family member 0.0044 0.0449 0.0449
Schistosoma mansoni tar DNA-binding protein 0.0193 0.3707 0.3707
Mycobacterium ulcerans esterase/lipase LipP 0.0044 0.0449 0.0583
Echinococcus multilocularis insulin receptor 0.0153 0.2848 0.2848
Onchocerca volvulus Glutaminyl cyclase homolog 0.0186 0.3567 0.7225
Echinococcus multilocularis 0.0149 0.2742 0.2742
Mycobacterium ulcerans hypothetical protein 0.0028 0.0105 0.0131
Brugia malayi beta-lactamase 0.0044 0.0449 0.0449
Onchocerca volvulus 0.0032 0.0188 0.0173
Schistosoma mansoni tar DNA-binding protein 0.0193 0.3707 0.3707
Brugia malayi Peptidase family M28 containing protein 0.0186 0.3567 0.3567
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0061 0.0827 0.0827
Echinococcus multilocularis chromobox protein 1 0.0073 0.1079 0.1079
Brugia malayi Latrophilin receptor protein 2 0.0061 0.0827 0.0827
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0875 0.0875
Onchocerca volvulus 0.0247 0.4896 1
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0186 0.3567 0.3567
Entamoeba histolytica hypothetical protein 0.0023 0 0.5
Echinococcus multilocularis Transglutaminase 0.0028 0.0105 0.0105
Brugia malayi Cytochrome P450 family protein 0.0033 0.0212 0.0212
Trichomonas vaginalis D-aminoacylase, putative 0.0044 0.0449 0.0917
Trypanosoma cruzi glutaminyl cyclase, putative 0.003 0.0138 0.0175
Loa Loa (eye worm) hypothetical protein 0.003 0.0155 0.0155
Mycobacterium ulcerans hypothetical protein 0.0028 0.0105 0.0131
Echinococcus granulosus lamin dm0 0.0031 0.0167 0.0167
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0167 0.0167
Trichomonas vaginalis chromobox protein, putative 0.0073 0.1079 0.2205
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0875 0.1145
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0448 0.0915
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0875 0.1145
Loa Loa (eye worm) hypothetical protein 0.0041 0.0381 0.0381
Schistosoma mansoni tar DNA-binding protein 0.0193 0.3707 0.3707
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.003 0.0138 0.0138
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0044 0.0449 0.0449
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.007 0.1018 0.1333
Echinococcus granulosus lamin 0.0031 0.0167 0.0167
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.017 0.017
Echinococcus multilocularis epidermal growth factor receptor 0.0258 0.5136 0.5136
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0875 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0044 0.0449 0.0449
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.1617 0.1617
Loa Loa (eye worm) CYP4Cod1 0.0033 0.0212 0.0212
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0061 0.0827 0.0827
Loa Loa (eye worm) hypothetical protein 0.0044 0.0449 0.0449
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.003 0.0138 0.0175
Brugia malayi beta-lactamase family protein 0.0044 0.0449 0.0449
Brugia malayi hypothetical protein 0.0246 0.4887 0.4887
Loa Loa (eye worm) hypothetical protein 0.0132 0.2379 0.2379
Brugia malayi beta-lactamase family protein 0.0044 0.0449 0.0449
Schistosoma mansoni hypothetical protein 0.0061 0.0827 0.0827
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0448 0.0915
Schistosoma mansoni tar DNA-binding protein 0.0193 0.3707 0.3707
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0186 0.3567 0.3567
Echinococcus granulosus survival motor neuron protein 1 0.0246 0.4887 0.4887
Onchocerca volvulus Fxna peptidase homolog 0.003 0.0138 0.0069
Toxoplasma gondii hypothetical protein 0.003 0.0138 0.1525
Mycobacterium tuberculosis Probable lipase LipE 0.0044 0.0449 0.0583
Schistosoma mansoni tyrosine kinase 0.0258 0.5136 0.5136
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.1617 0.1617
Trichomonas vaginalis D-aminoacylase, putative 0.0044 0.0449 0.0917
Loa Loa (eye worm) cytochrome P450 0.0024 0.0005 0.0005
Leishmania major cytochrome p450-like protein 0.0033 0.0212 0.0272
Mycobacterium tuberculosis Long conserved protein 0.0028 0.0105 0.0131
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.1617 0.1617
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.1617 0.1617
Brugia malayi RNA recognition motif domain containing protein 0.0193 0.3707 0.3707
Brugia malayi latrophilin 2 splice variant baaae 0.0132 0.2379 0.2379
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.007 0.1018 0.1333
Echinococcus granulosus tar DNA binding protein 0.0193 0.3707 0.3707
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0153 0.2848 0.2848
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.003 0.0138 0.0138
Trichomonas vaginalis peptide N-glycanase, putative 0.0028 0.0105 0.0214
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.003 0.0138 0.0138
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.003 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.003 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0186 0.3567 0.3567
Schistosoma mansoni amine GPCR 0.0357 0.7312 0.7312
Echinococcus granulosus GPCR family 2 0.0061 0.0827 0.0827
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0061 0.0827 0.0827
Schistosoma mansoni intermediate filament proteins 0.0031 0.0167 0.0167
Echinococcus granulosus insulin receptor 0.0153 0.2848 0.2848
Loa Loa (eye worm) RNA binding protein 0.0193 0.3707 0.3707
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.1617 0.1617
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0044 0.0449 0.0449
Trichomonas vaginalis penicillin-binding protein, putative 0.0044 0.0449 0.0917
Entamoeba histolytica hypothetical protein 0.0023 0 0.5
Mycobacterium tuberculosis Conserved protein 0.0044 0.0449 0.0583
Mycobacterium ulcerans hypothetical protein 0.003 0.0138 0.0175
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0138 0.0282
Loa Loa (eye worm) latrophilin receptor protein 2 0.0061 0.0827 0.0827
Brugia malayi leucyl aminopeptidase 0.003 0.0138 0.0138
Loa Loa (eye worm) TK/EGFR protein kinase 0.048 1 1
Mycobacterium tuberculosis Conserved protein 0.0028 0.0105 0.0131
Onchocerca volvulus 0.0044 0.0449 0.0718
Onchocerca volvulus Fxna peptidase homolog 0.003 0.0138 0.0069
Echinococcus granulosus muscleblind protein 0.0156 0.2899 0.2899
Echinococcus granulosus Transglutaminase 0.0028 0.0105 0.0105
Schistosoma mansoni hypothetical protein 0.0024 0.0005 0.0005
Brugia malayi Calcitonin receptor-like protein seb-1 0.0193 0.3716 0.3716
Echinococcus granulosus chromobox protein 1 0.0073 0.1079 0.1079
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0449 0.0583
Trypanosoma cruzi glutaminyl cyclase, putative 0.003 0.0138 0.0175
Brugia malayi Cytochrome P450 family protein 0.0033 0.0212 0.0212
Onchocerca volvulus Fxna peptidase homolog 0.003 0.0138 0.0069
Onchocerca volvulus 0.0044 0.0449 0.0718
Echinococcus multilocularis musashi 0.0031 0.0167 0.0167
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.0212 0.0212
Onchocerca volvulus 0.005 0.059 0.1013
Schistosoma mansoni tyrosine kinase 0.0255 0.5077 0.5077
Loa Loa (eye worm) hypothetical protein 0.0156 0.2899 0.2899
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.017 0.017
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0044 0.0449 0.0449
Onchocerca volvulus 0.003 0.0138 0.0069
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0875 0.1145
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.017 0.017
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0381 0.0777
Loa Loa (eye worm) TAR-binding protein 0.0193 0.3707 0.3707
Loa Loa (eye worm) hypothetical protein 0.0044 0.0449 0.0449
Entamoeba histolytica hypothetical protein 0.0023 0 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.424 0.424
Schistosoma mansoni Fxna peptidase (M28 family) 0.003 0.0138 0.0138
Trypanosoma cruzi cytochrome P450, putative 0.0033 0.0212 0.0272
Loa Loa (eye worm) TK/INSR protein kinase 0.0153 0.2848 0.2848
Mycobacterium leprae Conserved hypothetical protein 0.0028 0.0105 0.2246
Mycobacterium tuberculosis Probable lipase LipD 0.0044 0.0449 0.0583
Trichomonas vaginalis chromobox protein, putative 0.0073 0.1079 0.2205
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0875 0.0875
Schistosoma mansoni tyrosine kinase 0.0255 0.5077 0.5077
Echinococcus granulosus beta LACTamase domain containing family member 0.0044 0.0449 0.0449
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0138 0.0282
Mycobacterium tuberculosis Conserved protein 0.0044 0.0449 0.0583
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.1617 0.1617
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.037 0.7605 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0033 0.0212 0.0272
Mycobacterium tuberculosis Conserved protein 0.0044 0.0449 0.0583
Brugia malayi chromobox protein homolog 3 0.0041 0.0381 0.0381
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.1617 0.1617
Plasmodium vivax hypothetical protein, conserved 0.0044 0.0449 1
Brugia malayi RNA binding protein 0.0193 0.3707 0.3707
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.1617 0.1617
Trichomonas vaginalis set domain proteins, putative 0.0247 0.4896 1
Loa Loa (eye worm) beta-lactamase 0.0044 0.0449 0.0449
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0915 0.0915
Echinococcus multilocularis 0.0024 0.0005 0.0005
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.003 0.0138 0.0138
Brugia malayi Muscleblind-like protein 0.0156 0.2899 0.2899
Loa Loa (eye worm) hypothetical protein 0.003 0.0138 0.0138
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0193 0.3716 0.3716
Brugia malayi Thioredoxin family protein 0.0028 0.0105 0.0105
Echinococcus granulosus intermediate filament protein 0.0031 0.0167 0.0167
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0044 0.0449 0.0583
Brugia malayi Cytochrome P450 family protein 0.0024 0.0005 0.0005
Schistosoma mansoni chromobox protein 0.0073 0.1079 0.1079
Mycobacterium tuberculosis Probable esterase LipL 0.0044 0.0449 0.0583
Schistosoma mansoni tyrosine kinase 0.0153 0.2848 0.2848
Loa Loa (eye worm) heterochromatin protein 1 0.0073 0.1079 0.1079
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.012 0.0246
Loa Loa (eye worm) hypothetical protein 0.0246 0.4887 0.4887
Loa Loa (eye worm) cytochrome P450 family protein 0.0065 0.0907 0.0907
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.003 0.0138 0.0282
Mycobacterium leprae Conserved hypothetical protein 0.0028 0.0105 0.2246
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0381 0.0777
Brugia malayi Cytochrome P450 family protein 0.0065 0.0907 0.0907
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0044 0.0449 0.0583
Schistosoma mansoni tyrosine kinase 0.0153 0.2848 0.2848
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0186 0.3567 0.3567
Schistosoma mansoni nicalin (M28 family) 0.003 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0061 0.0827 0.0827
Loa Loa (eye worm) hypothetical protein 0.0044 0.0449 0.0449
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.017 0.017
Giardia lamblia Hypothetical protein 0.0028 0.0105 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.028 0.562 0.7389
Echinococcus multilocularis expressed protein 0.0454 0.9438 0.9438
Brugia malayi nicalin 0.003 0.0138 0.0138
Trichomonas vaginalis penicillin-binding protein, putative 0.0044 0.0449 0.0917
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.003 0.0138 0.0138
Brugia malayi cytochrome P450 0.0024 0.0005 0.0005
Mycobacterium tuberculosis Hypothetical protein 0.0028 0.0105 0.0131
Loa Loa (eye worm) hypothetical protein 0.003 0.0138 0.0138
Toxoplasma gondii peptidase, M28 family protein 0.003 0.0138 0.1525
Loa Loa (eye worm) hypothetical protein 0.0044 0.0449 0.0449
Trichomonas vaginalis D-aminoacylase, putative 0.0044 0.0449 0.0917
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.007 0.1018 0.1018
Echinococcus granulosus cytochrome P450 2K1 0.0024 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0193 0.3716 0.3716
Brugia malayi TAR-binding protein 0.0193 0.3707 0.3707
Schistosoma mansoni hypothetical protein 0.0061 0.0827 0.0827
Brugia malayi Pre-SET motif family protein 0.0031 0.017 0.017
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.003 0.0138 0.0138
Mycobacterium leprae Probable lipase LipE 0.0044 0.0449 1
Schistosoma mansoni chromobox protein 0.0073 0.1079 0.1079
Schistosoma mansoni hypothetical protein 0.0028 0.0105 0.0105
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.003 0.0138 0.0175
Mycobacterium ulcerans putative transglutaminase-like protein 0.0028 0.0105 0.0131
Trypanosoma brucei hypothetical protein, conserved 0.0044 0.0449 0.0416
Loa Loa (eye worm) hypothetical protein 0.0156 0.2899 0.2899
Schistosoma mansoni tyrosine kinase 0.0258 0.5136 0.5136
Schistosoma mansoni tar DNA-binding protein 0.0193 0.3707 0.3707
Brugia malayi Pre-SET motif family protein 0.0217 0.424 0.424
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0167 0.0167
Leishmania major lanosterol 14-alpha-demethylase, putative 0.037 0.7605 1
Echinococcus multilocularis chromobox protein 1 0.0073 0.1079 0.1079
Leishmania major hypothetical protein, conserved 0.003 0.0138 0.0175
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0875 0.0875
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0153 0.2848 0.2848

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.5 nM Antiviral activity was measured as inhibition of the growth of primary HIV-1 isolate (US-1) in human peripheral blood mononuclear cells ChEMBL. 11514156
Ki (binding) = 28 nM Inhibition of [125I]-labeled RANTES binding to C-C chemokine receptor type 5 ChEMBL. 11514156
Ki (binding) = 28 nM Inhibition of [125I]-labeled RANTES binding to C-C chemokine receptor type 5 ChEMBL. 11514156
Ki (binding) = 485 nM Affinity for Muscarinic acetylcholine receptor M2 ChEMBL. 11514156
Ki (binding) = 485 nM Affinity for Muscarinic acetylcholine receptor M2 ChEMBL. 11514156

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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