Detailed information for compound 952444

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 858.78 | Formula: C41H48BrN9O7
  • H donors: 8 H acceptors: 9 LogP: 4.25 Rotable bonds: 24
    Rule of 5 violations (Lipinski): 3
  • SMILES: O=C(/C=C/c1cccnc1)NCCCC[C@H](C(=O)N[C@@H](C(=O)NC1(CCCCC1)C(=O)N)CCCC(=O)O)NC(=O)c1cccc(c1)Nc1[nH]c2c(n1)cc(cc2)Br
  • InChi: 1S/C41H48BrN9O7/c42-28-16-17-30-33(24-28)50-40(49-30)46-29-11-6-10-27(23-29)36(55)47-31(12-2-5-22-45-34(52)18-15-26-9-8-21-44-25-26)37(56)48-32(13-7-14-35(53)54)38(57)51-41(39(43)58)19-3-1-4-20-41/h6,8-11,15-18,21,23-25,31-32H,1-5,7,12-14,19-20,22H2,(H2,43,58)(H,45,52)(H,47,55)(H,48,56)(H,51,57)(H,53,54)(H2,46,49,50)/b18-15+/t31-,32-/m1/s1
  • InChiKey: QWIJSVXVEPHLFX-IDPUZZCCSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens integrin, alpha 4 (antigen CD49D, alpha 4 subunit of VLA-4 receptor) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni integrin alpha-4 Get druggable targets OG5_133980 All targets in OG5_133980
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis integrin alpha 3 integrin, alpha 4 (antigen CD49D, alpha 4 subunit of VLA-4 receptor) 1032 aa 873 aa 22.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus survival motor neuron protein 1 0.024 0.165 0.1641
Schistosoma mansoni nuclear hormone receptor 0.003 0.0116 0.0113
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0093 0.0367
Schistosoma mansoni neuroligin 3 (S09 family) 0.0061 0.0339 0.0336
Loa Loa (eye worm) hypothetical protein 0.0061 0.0339 0.1338
Loa Loa (eye worm) hypothetical protein 0.0061 0.0339 0.1338
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0116 0.0457
Echinococcus multilocularis jumonji domain containing protein 0.0081 0.0487 0.0477
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0116 0.0457
Echinococcus granulosus jumonji domain containing protein 0.0081 0.0487 0.0477
Brugia malayi MH2 domain containing protein 0.0118 0.0754 0.2975
Echinococcus multilocularis lamin dm0 0.0027 0.0093 0.0083
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0084 0.051 0.0507
Schistosoma mansoni lamin 0.0027 0.0093 0.009
Loa Loa (eye worm) hypothetical protein 0.003 0.0116 0.0457
Onchocerca volvulus 0.0234 0.1607 0.752
Loa Loa (eye worm) hypothetical protein 0.0061 0.0339 0.1338
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.1399 0.5519
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0016 0.0013
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0032 0.0124 0.0121
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0124 0.8605
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0061 0.0339 0.0329
Loa Loa (eye worm) hypothetical protein 0.0044 0.0212 0.0837
Schistosoma mansoni zinc finger protein 0.0021 0.0046 0.0043
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0152 0.0142
Brugia malayi Integrin alpha pat-2 precursor 0.011 0.0702 0.2767
Loa Loa (eye worm) hypothetical protein 0.0038 0.017 0.0669
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0822 0.5918 0.5913
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0061 0.0339 0.0336
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.01 0.0394
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0036 0.0142
Loa Loa (eye worm) carboxylesterase 0.0061 0.0339 0.1338
Echinococcus granulosus JmjC domain containing protein 4 0.0034 0.0144 0.0133
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.0236 0.0225
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0116 0.0113
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0036 0.2346
Loa Loa (eye worm) hypothetical protein 0.0034 0.0144 0.0567
Plasmodium vivax JmjC domain containing protein 0.0034 0.0144 0.3596
Loa Loa (eye worm) hypothetical protein 0.0034 0.0144 0.0567
Brugia malayi PHD-finger family protein 0.0058 0.032 0.1261
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0633 0.2499
Echinococcus granulosus acetylcholinesterase 0.0361 0.2535 0.2527
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0124 0.0114
Leishmania major hypothetical protein, conserved 0.0034 0.0144 0.1805
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0121 0.0782 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0116 0.0457
Loa Loa (eye worm) acetylcholinesterase 1 0.0361 0.2535 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0036 0.2346
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0116 0.0113
Echinococcus multilocularis lysine specific demethylase 6a 0.0034 0.0144 0.0133
Onchocerca volvulus 0.0084 0.051 0.2074
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0034 0.0144 1
Schistosoma mansoni hypothetical protein 0.0049 0.0251 0.0248
Echinococcus granulosus acetylcholinesterase 0.0361 0.2535 0.2527
Loa Loa (eye worm) hypothetical protein 0.024 0.165 0.6507
Loa Loa (eye worm) hypothetical protein 0.0016 0.0011 0.0042
Brugia malayi hypothetical protein 0.0302 0.2106 0.8307
Echinococcus multilocularis integrin alpha ps 0.0053 0.028 0.027
Loa Loa (eye worm) isocitrate dehydrogenase 0.0032 0.0124 0.0489
Echinococcus multilocularis dna polymerase kappa 0.002 0.0036 0.0026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0116 0.0457
Schistosoma mansoni survival motor neuron protein 0.0049 0.0251 0.0248
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.031 0.3709
Brugia malayi hypothetical protein 0.0016 0.0011 0.0042
Brugia malayi nuclear receptor NHR-88 0.003 0.0116 0.0457
Echinococcus granulosus para nitrobenzyl esterase 0.0061 0.0339 0.0329
Echinococcus multilocularis para nitrobenzyl esterase 0.0061 0.0339 0.0329
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0061 0.0339 0.4063
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0116 0.0105
Echinococcus granulosus lamin 0.0027 0.0093 0.0083
Loa Loa (eye worm) hypothetical protein 0.003 0.0116 0.0457
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0032 0.0124 0.0114
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0127 0.0501
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0116 0.0105
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0042 0.0164
Brugia malayi AF-10 protein 0.0019 0.0032 0.0127
Echinococcus granulosus geminin 0.0339 0.2375 0.2367
Brugia malayi jmjC domain containing protein 0.0034 0.0144 0.0567
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0061 0.0339 0.0329
Onchocerca volvulus 0.0061 0.0339 0.1223
Brugia malayi hypothetical protein 0.024 0.165 0.6507
Brugia malayi hypothetical protein 0.0061 0.0339 0.1338
Schistosoma mansoni hypothetical protein 0.0339 0.2375 0.2372
Schistosoma mansoni hypothetical protein 0.0032 0.0127 0.0124
Loa Loa (eye worm) hypothetical protein 0.003 0.0116 0.0457
Brugia malayi Carboxylesterase family protein 0.0061 0.0339 0.1338
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0116 0.0457
Echinococcus multilocularis microtubule associated protein 2 0.1379 1 1
Brugia malayi jmjC domain containing protein 0.0034 0.0144 0.0567
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0032 0.0124 0.118
Onchocerca volvulus 0.0028 0.01 0.0034
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0036 0.2346
Leishmania major DNA polymerase eta, putative 0.002 0.0036 0.0423
Toxoplasma gondii PHD-finger domain-containing protein 0.0058 0.032 0.3834
Brugia malayi F/Y-rich N-terminus family protein 0.0031 0.0117 0.0462
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0116 0.0105
Echinococcus multilocularis jumonji domain containing 1A 0.0034 0.0144 0.0133
Echinococcus granulosus BC026374 protein S09 family 0.0061 0.0339 0.0329
Loa Loa (eye worm) hypothetical protein 0.003 0.0116 0.0457
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0113 0.011
Loa Loa (eye worm) hypothetical protein 0.0061 0.0339 0.1338
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0038 0.0169 0.0159
Schistosoma mansoni jumonji domain containing protein 0.021 0.1428 0.1426
Echinococcus multilocularis peregrin 0.0061 0.0337 0.0327
Echinococcus granulosus phd:f box containing protein 0.0034 0.0144 0.0133
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0116 0.0457
Echinococcus granulosus dna polymerase eta 0.002 0.0036 0.0026
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0249 0.1716 0.1707
Echinococcus multilocularis JmjC domain containing protein 4 0.0034 0.0144 0.0133
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0113 0.1072
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0116 0.0113
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0127 0.0117
Echinococcus granulosus zinc finger protein 0.0021 0.0046 0.0035
Echinococcus granulosus integrin alpha ps 0.011 0.0702 0.0692
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0116 0.0457
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0633 0.2499
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0036 0.2346
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0335 0.0325
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0113 0.0102
Loa Loa (eye worm) hypothetical protein 0.004 0.0187 0.0736
Echinococcus multilocularis BC026374 protein (S09 family) 0.0061 0.0339 0.0329
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0116 0.0105
Loa Loa (eye worm) jmjC domain-containing protein 0.0132 0.086 0.339
Loa Loa (eye worm) carboxylesterase 0.0061 0.0339 0.1338
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0116 0.0457
Loa Loa (eye worm) hypothetical protein 0.0027 0.0089 0.0352
Echinococcus multilocularis cpg binding protein 0.0032 0.0126 0.0115
Schistosoma mansoni aldehyde dehydrogenase 0.0121 0.0782 0.0779
Echinococcus multilocularis isocitrate dehydrogenase 0.0032 0.0124 0.0114
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0024 0.0066 0.0407
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0024 0.0066 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0249 0.1716 0.1707
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0116 0.0457
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0027 0.0092 0.0089
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.0236 0.0225
Echinococcus granulosus lysine specific demethylase 6a 0.0034 0.0144 0.0133
Echinococcus multilocularis acetylcholinesterase 0.0361 0.2535 0.2527
Loa Loa (eye worm) hypothetical protein 0.0101 0.0633 0.2499
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.0754 0.2975
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0036 0.0033
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0016 0.0013
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0124 0.1553
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0036 0.0142
Schistosoma mansoni hypothetical protein 0.0053 0.028 0.0277
Brugia malayi Bromodomain containing protein 0.0075 0.0446 0.1758
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0116 0.0113
Brugia malayi intermediate filament protein 0.0027 0.0093 0.0367
Schistosoma mansoni integrin alpha-ps 0.0057 0.0314 0.0311
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.0782 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0116 0.0457
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0251 0.099
Loa Loa (eye worm) hypothetical protein 0.0027 0.0093 0.0367
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0034 0.0144 1
Echinococcus multilocularis acetylcholinesterase 0.0361 0.2535 0.2527
Schistosoma mansoni hypothetical protein 0.0339 0.2375 0.2372
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0036 0.2346
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0116 0.0457
Schistosoma mansoni aldehyde dehydrogenase 0.0121 0.0782 0.0779
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0116 0.0113
Loa Loa (eye worm) hypothetical protein 0.0061 0.0339 0.1338
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0036 0.2346
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0236 0.0233
Echinococcus multilocularis GPCR, family 2 0.0032 0.0127 0.0117
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0036 0.0142
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0061 0.0339 0.0336
Loa Loa (eye worm) hypothetical protein 0.0361 0.2535 1
Echinococcus granulosus jumonji domain containing 1A 0.0034 0.0144 0.0133
Onchocerca volvulus Alhambra homolog 0.0058 0.032 0.1126
Giardia lamblia PHD finger protein 15 0.0058 0.032 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0036 0.2346
Schistosoma mansoni hypothetical protein 0.0032 0.0127 0.0124
Leishmania major DNA polymerase kappa, putative 0.002 0.0036 0.0423
Loa Loa (eye worm) hypothetical protein 0.0115 0.0738 0.2911
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0116 0.0113
Brugia malayi Bromodomain containing protein 0.0038 0.0169 0.0667
Onchocerca volvulus 0.0049 0.0251 0.0785
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0036 0.2346
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0116 0.0113
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0116 0.0457
Plasmodium vivax hypothetical protein, conserved 0.0058 0.032 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0036 0.2346
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0084 0.051 0.2013
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0152 0.0142
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0116 0.0457
Loa Loa (eye worm) hypothetical protein 0.0016 0.0011 0.0042
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0034 0.0144 0.1486
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0016 0.0005
Loa Loa (eye worm) hypothetical protein 0.0057 0.0314 0.1238
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0399 0.1574
Onchocerca volvulus 0.0061 0.0339 0.1223
Schistosoma mansoni cpg binding protein 0.0028 0.01 0.0097
Schistosoma mansoni BC026374 protein (S09 family) 0.0061 0.0339 0.0336
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0116 0.0113
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0019 0.0032 0.2074
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0127 0.0501
Brugia malayi Pre-SET motif family protein 0.0206 0.1399 0.5519
Echinococcus multilocularis muscleblind protein 0.0151 0.1003 0.0993
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0116 0.0457
Loa Loa (eye worm) PHD-finger family protein 0.0058 0.032 0.1261
Echinococcus multilocularis zinc finger protein 0.0021 0.0046 0.0035
Schistosoma mansoni integrin alpha-4 0.0472 0.3352 0.335
Echinococcus granulosus GPCR family 2 0.0032 0.0127 0.0117
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0036 0.2346
Brugia malayi Carboxylesterase family protein 0.0061 0.0339 0.1338
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0116 0.0105
Brugia malayi isocitrate dehydrogenase 0.0032 0.0124 0.0489
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0011 0.0007
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0016 0.0005
Brugia malayi Pre-SET motif family protein 0.003 0.0113 0.0444
Loa Loa (eye worm) hypothetical protein 0.0061 0.0339 0.1338
Schistosoma mansoni integrin alpha-ps 0.011 0.0702 0.0699
Schistosoma mansoni jumonji/arid domain-containing protein 0.0132 0.086 0.0857
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0036 0.2346
Loa Loa (eye worm) hypothetical protein 0.007 0.0403 0.159
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0116 0.0457
Brugia malayi ecdysteroid receptor 0.003 0.0116 0.0457
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0116 0.0457
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0036 0.0026
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0116 0.0113
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.0782 1
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0024 0.0066 0.0407
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.01 0.009
Echinococcus multilocularis survival motor neuron protein 1 0.024 0.165 0.1641
Brugia malayi Carboxylesterase family protein 0.0061 0.0339 0.1338
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0036 0.2346
Echinococcus multilocularis PHD finger protein rhinoceros 0.0058 0.032 0.0309
Schistosoma mansoni acetylcholinesterase 0.0061 0.0339 0.0336
Loa Loa (eye worm) hypothetical protein 0.003 0.0116 0.0457
Loa Loa (eye worm) jmjC domain-containing protein 0.012 0.0774 0.3054
Schistosoma mansoni lamin 0.0027 0.0093 0.009
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0116 0.0105
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0032 0.0124 0.0114
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0036 0.0026
Loa Loa (eye worm) hypothetical protein 0.0151 0.1003 0.3954
Loa Loa (eye worm) hypothetical protein 0.0361 0.2535 1
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0053 0.028 0.1106
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0034 0.0144 0.0141
Echinococcus granulosus carboxylesterase 5A 0.0361 0.2535 0.2527
Echinococcus multilocularis geminin 0.0339 0.2375 0.2367
Brugia malayi jmjC domain containing protein 0.0034 0.0144 0.0567
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0113 0.011
Schistosoma mansoni cpg binding protein 0.0032 0.0126 0.0122
Echinococcus granulosus integrin alpha 3 0.0053 0.028 0.027
Echinococcus multilocularis integrin alpha ps 0.011 0.0702 0.0692
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0066 0.0784
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0121 0.0782 0.0772
Brugia malayi hypothetical protein 0.0016 0.0011 0.0042
Schistosoma mansoni gliotactin 0.0061 0.0339 0.0336
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0116 0.0457
Schistosoma mansoni thyroid hormone receptor 0.003 0.0116 0.0113
Loa Loa (eye worm) hypothetical protein 0.0047 0.0236 0.093
Brugia malayi Carboxylesterase family protein 0.0361 0.2535 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0036 0.2346
Loa Loa (eye worm) hypothetical protein 0.0151 0.1003 0.3954
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0024 0.0066 0.0456
Schistosoma mansoni hypothetical protein 0.0069 0.0399 0.0396
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0036 0.0423
Brugia malayi steroid hormone receptor 0.003 0.0116 0.0457
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0121 0.0782 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0127 0.0117
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0066 0.4504
Loa Loa (eye worm) hypothetical protein 0.0057 0.0314 0.1238
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0116 0.0105
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0116 0.0105
Echinococcus multilocularis neuroligin 0.0061 0.0339 0.0329
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0127 0.0117
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0024 0.0066 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0011 0.0042
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0034 0.0144 1
Brugia malayi jmjC domain containing protein 0.0249 0.1716 0.6767
Trichomonas vaginalis set domain proteins, putative 0.0234 0.1607 1
Echinococcus multilocularis phd:f box containing protein 0.0034 0.0144 0.0133
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0024 0.0066 0.0456
Plasmodium falciparum JmjC domain-containing protein, putative 0.0034 0.0144 0.3596
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0236 0.0233
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0116 0.0457
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0116 0.0457
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0116 0.0105
Echinococcus multilocularis musashi 0.0027 0.0093 0.0083
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0116 0.0105
Brugia malayi nuclear hormone receptor 0.003 0.0116 0.0457
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0116 0.0113
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0124 0.0114
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0144 0.0567
Echinococcus multilocularis muscleblind protein 1 0.0151 0.1003 0.0993
Loa Loa (eye worm) hypothetical protein 0.0053 0.028 0.1106
Entamoeba histolytica hypothetical protein 0.0024 0.0066 1
Brugia malayi PHD-finger family protein 0.0026 0.0084 0.0332
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0124 0.1225
Brugia malayi Muscleblind-like protein 0.0151 0.1003 0.3954
Mycobacterium ulcerans carboxylesterase, LipT 0.0061 0.0339 0.4063
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0116 0.0105
Schistosoma mansoni hypothetical protein 0.0019 0.0032 0.0029
Echinococcus multilocularis lamin 0.0027 0.0093 0.0083
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0036 0.2346
Echinococcus granulosus neuroligin 0.0061 0.0339 0.0329
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0124 0.1225
Echinococcus multilocularis lysine specific demethylase 5A 0.0128 0.0834 0.0824
Brugia malayi Bromodomain containing protein 0.0061 0.0337 0.1328
Onchocerca volvulus 0.003 0.0113 0.0097
Mycobacterium leprae conserved hypothetical protein 0.0024 0.0066 0.5
Schistosoma mansoni intermediate filament proteins 0.0027 0.0093 0.009
Schistosoma mansoni hypothetical protein 0.0032 0.0127 0.0124
Echinococcus granulosus peregrin 0.0061 0.0337 0.0327
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0116 0.0105
Echinococcus granulosus lamin dm0 0.0027 0.0093 0.0083
Schistosoma mansoni bromodomain containing protein 0.0064 0.0361 0.0358
Loa Loa (eye worm) hypothetical protein 0.003 0.0116 0.0457
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0633 0.2499
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0124 0.8605
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.0754 0.2975
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0335 0.0325
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0036 0.2346
Echinococcus granulosus cpg binding protein 0.0032 0.0126 0.0115
Schistosoma mansoni hypothetical protein 0.0058 0.032 0.0317
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0034 0.0144 0.1486
Echinococcus granulosus PHD finger protein rhinoceros 0.0058 0.032 0.0309
Onchocerca volvulus 0.0061 0.0339 0.1223
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0116 0.0457
Echinococcus granulosus dna polymerase kappa 0.002 0.0036 0.0026
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0032 0.0124 0.2882
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0067 0.0057
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0032 0.0124 0.8605
Plasmodium vivax SET domain protein, putative 0.003 0.0113 0.2466
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0093 0.0367
Brugia malayi Isocitrate dehydrogenase 0.0032 0.0124 0.0489
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0036 0.2346
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0116 0.0457
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0116 0.0457
Loa Loa (eye worm) hypothetical protein 0.0053 0.028 0.1106
Trypanosoma brucei unspecified product 0.002 0.0036 0.2346
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0127 0.0501
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0024 0.0066 0.5
Echinococcus multilocularis dna polymerase eta 0.002 0.0036 0.0026
Loa Loa (eye worm) hypothetical protein 0.0302 0.2106 0.8307
Schistosoma mansoni hypothetical protein 0.002 0.0042 0.0039
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0093 0.0367
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0116 0.0105
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0019 0.0032 0.2074
Onchocerca volvulus 0.003 0.0116 0.0113
Echinococcus granulosus muscleblind protein 0.0151 0.1003 0.0993
Echinococcus granulosus FTZ F1 alpha 0.003 0.0116 0.0105
Loa Loa (eye worm) integrin alpha pat-2 0.011 0.0702 0.2767
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.002 0.0079
Plasmodium falciparum phd finger protein, putative 0.0058 0.032 1
Loa Loa (eye worm) carboxylesterase 0.0361 0.2535 1
Brugia malayi jmjC domain containing protein 0.0034 0.0144 0.0567
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0116 0.0105
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0061 0.0339 0.0336
Onchocerca volvulus 0.0302 0.2106 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0061 0.0339 0.4063
Schistosoma mansoni phosphatidylserine receptor 0.0034 0.0144 0.0141
Onchocerca volvulus 0.0061 0.0339 0.1223
Loa Loa (eye worm) hypothetical protein 0.0032 0.0127 0.0501
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.0782 1
Schistosoma mansoni microtubule-associated protein tau 0.1379 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0011 0.0042
Loa Loa (eye worm) hypothetical protein 0.0016 0.0011 0.0042
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0066 0.0784
Loa Loa (eye worm) hypothetical protein 0.002 0.0036 0.0142
Loa Loa (eye worm) hypothetical protein 0.0023 0.0058 0.0228
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0116 0.0105
Loa Loa (eye worm) hypothetical protein 0.0084 0.051 0.2013
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0067 0.0057
Schistosoma mansoni cpg binding protein 0.0032 0.0126 0.0122
Brugia malayi PHD-finger family protein 0.0023 0.0058 0.0228
Brugia malayi Carboxylesterase family protein 0.0361 0.2535 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0036 0.2346
Schistosoma mansoni integrin alpha 0.011 0.0702 0.0699
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0036 0.2346
Brugia malayi jmjC domain containing protein 0.0132 0.086 0.339
Toxoplasma gondii PHD-finger domain-containing protein 0.0058 0.032 0.3834
Schistosoma mansoni protein phosphatase 2C 0.0034 0.0144 0.0141
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0144 0.0567
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0116 0.0457
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0011 0.0042
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0024 0.0066 0.0407
Loa Loa (eye worm) hypothetical protein 0.0069 0.0399 0.1574
Brugia malayi Carboxylesterase family protein 0.0061 0.0339 0.1338
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0011 0.0042
Schistosoma mansoni coup transcription factor 0.003 0.0116 0.0113
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0058 0.032 0.0317
Mycobacterium tuberculosis Carboxylesterase LipT 0.0061 0.0339 0.4063
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0124 0.0114
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0116 0.0105
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.034 0.0337
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0036 0.0033
Onchocerca volvulus 0.0061 0.0339 0.1223
Schistosoma mansoni hypothetical protein 0.0032 0.0127 0.0124
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0121 0.0782 0.0772
Loa Loa (eye worm) hypothetical protein 0.0016 0.0011 0.0042
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0038 0.0169 0.0159
Toxoplasma gondii aldehyde dehydrogenase 0.0121 0.0782 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0339 0.1338
Brugia malayi nuclear receptor RXR 0.0016 0.0011 0.0042
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0116 0.0113
Echinococcus granulosus L aminoadipate semialdehyde 0.0084 0.051 0.05
Schistosoma mansoni jumonji/arid domain-containing protein 0.0132 0.086 0.0857
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0361 0.2535 0.2533
Loa Loa (eye worm) hypothetical protein 0.003 0.0116 0.0457
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0036 0.2346
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0116 0.0457
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0032 0.0124 0.2882
Schistosoma mansoni DNA polymerase eta 0.002 0.0036 0.0033
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0032 0.0124 0.8605
Echinococcus multilocularis L aminoadipate semialdehyde 0.0084 0.051 0.05
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0061 0.0339 0.193
Leishmania major phosphopantetheinyl transferase-like protein 0.0024 0.0066 0.0813
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0067 0.0064
Echinococcus multilocularis integrin alpha ps 0.011 0.0702 0.0692
Echinococcus granulosus lysine specific demethylase 5A 0.0132 0.086 0.085
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0127 0.0117
Schistosoma mansoni thyroid hormone receptor 0.003 0.0116 0.0113
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0144 0.0567
Loa Loa (eye worm) hypothetical protein 0.0058 0.032 0.1261
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0011 0.0007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0116 0.0457
Schistosoma mansoni jumonji domain containing protein 0.0034 0.0144 0.0141
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0116 0.0105
Schistosoma mansoni phd/f-box containing protein 0.0034 0.0144 0.0141
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0116 0.0113
Echinococcus granulosus intermediate filament protein 0.0027 0.0093 0.0083
Echinococcus multilocularis carboxylesterase 5A 0.0361 0.2535 0.2527
Trichomonas vaginalis spcc417.12 protein, putative 0.0061 0.0339 0.193
Brugia malayi CXXC zinc finger family protein 0.0028 0.01 0.0394
Echinococcus granulosus integrin alpha ps 0.0053 0.028 0.027
Echinococcus multilocularis integrin alpha 3 0.0053 0.028 0.027

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 30 nM Inhibition of human integrin alpha-4-beta-1-mediated MOLT4 cell adhesion to biotin-conjugated CS-1 peptide ChEMBL. 19072684

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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