Detailed information for compound 451709

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 616.806 | Formula: C34H41NaO5S2
  • H donors: 1 H acceptors: 4 LogP: 9.86 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCCCCCCC#CC(c1ccccc1c1ccc(c(c1)S(=O)(=O)[O-])Sc1ccc(cc1)OCCC)O.[Na+]
  • InChi: 1S/C34H42O5S2.Na/c1-3-5-6-7-8-9-10-11-12-13-18-32(35)31-17-15-14-16-30(31)27-19-24-33(34(26-27)41(36,37)38)40-29-22-20-28(21-23-29)39-25-4-2;/h14-17,19-24,26,32,35H,3-12,25H2,1-2H3,(H,36,37,38);/q;+1/p-1
  • InChiKey: FRARGWLQLUYGPY-UHFFFAOYSA-M  


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 sphingosine-1-phosphate receptor 1 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
Brugia malayi Cathepsin L-like precursor 0.0011 0.0007 0.0018
Loa Loa (eye worm) hypothetical protein 0.032 0.0878 0.2181
Brugia malayi hypothetical protein 0.0444 0.1225 0.3047
Loa Loa (eye worm) hypothetical protein 0.032 0.0878 0.2181
Echinococcus granulosus Nuclear hormone receptor HR96 0.0151 0.0401 0.0401
Brugia malayi Nuclear hormone receptor family member nhr-40 0.032 0.0878 0.2182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0007 0.3182
Loa Loa (eye worm) hypothetical protein 0.0169 0.0452 0.1123
Brugia malayi tailless protein 0.0151 0.0401 0.0997
Brugia malayi Nuclear hormone receptor family member nhr-19 0.032 0.0878 0.2182
Loa Loa (eye worm) nuclear hormone receptor 0.0151 0.0401 0.0996
Loa Loa (eye worm) hypothetical protein 0.032 0.0878 0.2181
Echinococcus granulosus FTZ F1 alpha 0.032 0.0878 0.0878
Schistosoma mansoni retinoid-x-receptor (RXR) 0.032 0.0878 0.0878
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.032 0.0878 0.2181
Loa Loa (eye worm) hypothetical protein 0.0151 0.0401 0.0996
Leishmania major cathepsin L-like protease 0.0064 0.0156 0.955
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0023 0.1415
Brugia malayi Nuclear hormone receptor family member nhr-49 0.032 0.0878 0.2182
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0016
Loa Loa (eye worm) hypothetical protein 0.032 0.0878 0.2181
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0066 0.0162 0.0401
Loa Loa (eye worm) hypothetical protein 0.032 0.0878 0.2181
Loa Loa (eye worm) hypothetical protein 0.0151 0.0401 0.0996
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.032 0.0878 0.0922
Schistosoma mansoni thyroid hormone receptor 0.032 0.0878 0.0878
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0023 0.0035
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.032 0.0878 0.0922
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Brugia malayi Nuclear hormone receptor-like 1 0.0169 0.0452 0.1124
Brugia malayi Cathepsin L-like precursor 0.0017 0.0023 0.0057
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0156 0.9614
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0023 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0151 0.0401 0.0877
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0112 0.0278
Echinococcus granulosus dnaJ subfamily B 0.041 0.113 0.113
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0156 0.9614
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0083 0.0083
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0023 0.0057
Brugia malayi Cathepsin L-like precursor 0.0017 0.0023 0.0057
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0016
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0156 0.9614
Echinococcus multilocularis ecdysone induced protein 78C 0.032 0.0878 0.0922
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0023 0.0024
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0156 0.9614
Brugia malayi hypothetical protein 0.0151 0.0401 0.0997
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.0162 0.017
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0156 0.9614
Loa Loa (eye worm) hypothetical protein 0.032 0.0878 0.2181
Brugia malayi Nuclear hormone receptor family member nhr-1 0.032 0.0878 0.2182
Loa Loa (eye worm) nuclear receptor nhr-7B 0.1437 0.4022 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.032 0.0878 0.0878
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0156 0.9614
Leishmania major cathepsin L-like protease 0.0064 0.0156 0.955
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0169 0.0452 0.0452
Brugia malayi orphan nuclear receptor NR2E1 0.0151 0.0401 0.0997
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0162 1
Brugia malayi Nuclear hormone receptor E75 0.0151 0.0401 0.0997
Onchocerca volvulus Cathepsin F homolog 0.0017 0.0023 0.0035
Onchocerca volvulus 0.0029 0.0057 0.011
Brugia malayi Nuclear hormone receptor family member nhr-25 0.032 0.0878 0.2182
Echinococcus multilocularis cpg binding protein 0.003 0.0061 0.0064
Brugia malayi Nuclear hormone receptor family member nhr-41 0.032 0.0878 0.2182
Brugia malayi hypothetical protein 0.0169 0.0452 0.1124
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0023 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.032 0.0878 0.0922
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0023 0.0023
Echinococcus multilocularis Protein lozenge 0.0056 0.0132 0.0139
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0001 0.0001
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0023 0.1415
Trypanosoma cruzi cruzipain precursor, putative 0.0064 0.0156 0.9614
Schistosoma mansoni lozenge 0.0056 0.0132 0.0132
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0156 0.9614
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.0162 0.0162
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0007 0.3182
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0151 0.0401 0.0401
Echinococcus multilocularis FTZ F1 alpha 0.032 0.0878 0.0922
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.0401 0.0996
Brugia malayi nuclear hormone receptor 0.032 0.0878 0.2182
Brugia malayi Nuclear hormone receptor family member nhr-19 0.032 0.0878 0.2182
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0169 0.0452 0.0452
Loa Loa (eye worm) ctsf protein 0.0017 0.0023 0.0055
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.032 0.0878 0.2182
Brugia malayi Nuclear hormone receptor-like 1 0.0169 0.0452 0.1124
Schistosoma mansoni cpg binding protein 0.0029 0.0057 0.0057
Schistosoma mansoni cathepsin F (C01 family) 0.0011 0.0007 0.0007
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.032 0.0878 0.0922
Schistosoma mansoni nuclear receptor nhr-48 0.0151 0.0401 0.0401
Schistosoma mansoni steroid hormone receptor ad4bp 0.032 0.0878 0.0878
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0151 0.0401 0.0421
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0151 0.0401 0.0997
Brugia malayi Nuclear hormone receptor family member nhr-14 0.032 0.0878 0.2182
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0023 1
Trypanosoma cruzi major cysteine proteinase, putative 0.005 0.0117 0.7234
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.032 0.0878 0.2181
Schistosoma mansoni zinc finger protein 0.0151 0.0401 0.0401
Loa Loa (eye worm) runx1 0.0056 0.0132 0.0327
Brugia malayi Cathepsin L-like cysteine proteinase 0.0011 0.0007 0.0018
Brugia malayi cathepsin L-like precursor 0.0011 0.0007 0.0018
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0023 0.0057
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0023 0.0023
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0156 0.9614
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0023 0.0023
Brugia malayi Nuclear hormone receptor E75 0.0151 0.0401 0.0997
Brugia malayi Steroid receptor seven-up type 2 0.032 0.0878 0.2182
Echinococcus granulosus cpg binding protein 0.003 0.0061 0.0061
Brugia malayi Nuclear hormone receptor family member nhr-25 0.032 0.0878 0.2182
Brugia malayi photoreceptor-specific nuclear receptor 0.032 0.0878 0.2182
Loa Loa (eye worm) DR-78 0.0151 0.0401 0.0996
Echinococcus granulosus thyroid hormone receptor alpha 0.0151 0.0401 0.0401
Onchocerca volvulus Protein ultraspiracle homolog 0.032 0.0878 0.1938
Loa Loa (eye worm) hypothetical protein 0.0237 0.0643 0.1597
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.0162 0.0162
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0023 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.0401 0.0996
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0151 0.0401 0.0421
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0023 0.0055
Schistosoma mansoni nuclear hormone receptor 0.0151 0.0401 0.0401
Schistosoma mansoni thyroid hormone receptor 0.032 0.0878 0.0878
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.0401 0.0996
Brugia malayi nuclear receptor NHR-88 0.0151 0.0401 0.0997
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.3391 0.9523 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.032 0.0878 0.2182
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.032 0.0878 0.0878
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0023 1
Onchocerca volvulus 0.0048 0.0112 0.0233
Brugia malayi steroid hormone receptor 0.032 0.0878 0.2182
Onchocerca volvulus 0.0444 0.1225 0.2712
Loa Loa (eye worm) hypothetical protein 0.0169 0.0452 0.1123
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0023 1
Onchocerca volvulus 0.0017 0.0023 0.0035
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0235 0.0637 0.1583
Loa Loa (eye worm) steroid hormone receptor 0.032 0.0878 0.2181
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0156 0.9614
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0017 0.0023 1
Loa Loa (eye worm) cysteine protease 0.0017 0.0023 0.0055
Schistosoma mansoni survival motor neuron protein 0.0048 0.0112 0.0112
Echinococcus granulosus cathepsin l1 0.0017 0.0023 0.0023
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0156 0.9614
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Brugia malayi ecdysone receptor 0.0151 0.0401 0.0997
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.032 0.0878 0.0922
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0066 0.0162 0.0403
Plasmodium vivax vivapain-2 0.0017 0.0023 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0057 0.0139
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0023 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0162 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0023 0.0024
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.0643 0.0675
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.032 0.0878 0.2181
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.0643 0.0643
Schistosoma mansoni hypothetical protein 0.0048 0.0112 0.0112
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0 0.0001
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0169 0.0452 0.1123
Loa Loa (eye worm) nuclear receptor NHR-67 0.0151 0.0401 0.0996
Brugia malayi nuclear receptor RXR 0.0169 0.0452 0.1124
Schistosoma mansoni hypothetical protein 0.041 0.113 0.113
Loa Loa (eye worm) hypothetical protein 0.0151 0.0401 0.0996
Schistosoma mansoni cpg binding protein 0.003 0.0061 0.0061
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.1606 0.4499 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.032 0.0878 0.0922
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.0401 0.0996
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0023 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0023 0.0055
Brugia malayi nuclear hormone receptor family member nhr-6 0.0151 0.0401 0.0997
Entamoeba histolytica cysteine protease, putative 0.0017 0.0023 0.1415
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.032 0.0878 0.0878
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Brugia malayi Cathepsin L-like precursor 0.0011 0.0007 0.0018
Brugia malayi nuclear receptor RXR 0.0151 0.0401 0.0997
Schistosoma mansoni RAR-like nuclear receptor 0.032 0.0878 0.0878
Loa Loa (eye worm) hypothetical protein 0.0151 0.0401 0.0996
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0156 0.9614
Brugia malayi hypothetical protein 0.0237 0.0643 0.1598
Loa Loa (eye worm) hypothetical protein 0.0169 0.0452 0.1123
Loa Loa (eye worm) hypothetical protein 0.032 0.0878 0.2181
Loa Loa (eye worm) hypothetical protein 0.1286 0.3597 0.8942
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0058 0.014 0.8649
Schistosoma mansoni nuclear receptor 0.0151 0.0401 0.0401
Onchocerca volvulus 0.0151 0.0401 0.0877
Schistosoma mansoni retinoic acid receptor RXR 0.356 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.032 0.0878 0.2182
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.032 0.0878 0.0878
Echinococcus multilocularis cysteine protease 0.0017 0.0023 0.0024
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0023 1
Schistosoma mansoni coup transcription factor 0.032 0.0878 0.0878
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0023 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.032 0.0878 0.2181
Brugia malayi hypothetical protein 0.0169 0.0452 0.1124
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.032 0.0878 0.2181
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0151 0.0401 0.0401
Schistosoma mansoni cpg binding protein 0.003 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.032 0.0878 0.2181
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0023 0.0035
Echinococcus granulosus Nuclear hormone receptor HR96 0.0151 0.0401 0.0401
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0162 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0017 0.0023 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0151 0.0401 0.0401
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0023 0.1415
Onchocerca volvulus 0.0017 0.0023 0.0035
Schistosoma mansoni nuclear hormone receptor 0.032 0.0878 0.0878
Brugia malayi nuclear hormone receptor 0.1437 0.4022 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.032 0.0878 0.2181
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Onchocerca volvulus 0.0017 0.0023 0.0035
Schistosoma mansoni Tr4/Tr2 (homologue) 0.032 0.0878 0.0878
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.032 0.0878 0.0878
Loa Loa (eye worm) hypothetical protein 0.0444 0.1225 0.3045
Plasmodium vivax vivapain-2 0.0017 0.0023 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0023 0.0024
Echinococcus multilocularis nuclear receptor nhr 48 0.0151 0.0401 0.0421
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0156 0.9614
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0066 0.0162 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.032 0.0878 0.0878
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0151 0.0401 0.0421
Echinococcus multilocularis cysteine protease 0.0017 0.0023 0.0024
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0156 0.9614
Schistosoma mansoni nuclear hormone receptor 0.0151 0.0401 0.0401
Loa Loa (eye worm) hypothetical protein 0.0151 0.0401 0.0996
Onchocerca volvulus 0.0017 0.0023 0.0035
Brugia malayi nuclear receptor NHR-67 0.0151 0.0401 0.0997
Loa Loa (eye worm) hypothetical protein 0.0444 0.1225 0.3045
Loa Loa (eye worm) fibroinase 0.0017 0.0023 0.0055
Brugia malayi conserved hypotetical protein 0.0151 0.0401 0.0997
Brugia malayi Cathepsin L-like precursor 0.0017 0.0023 0.0057
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0151 0.0401 0.0421
Onchocerca volvulus Bile acid receptor homolog 0.032 0.0878 0.1938
Entamoeba histolytica cysteine proteinase, putative 0.0011 0.0007 0.045
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0151 0.0401 0.0401
Loa Loa (eye worm) hypothetical protein 0.0151 0.0401 0.0996
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.032 0.0878 0.0878
Brugia malayi Cathepsin L-like precursor 0.0017 0.0023 0.0057
Loa Loa (eye worm) hypothetical protein 0.0151 0.0401 0.0996
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0083 0.0088
Brugia malayi Nuclear hormone receptor-like 1 0.032 0.0878 0.2182
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0066 0.0162 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.032 0.0878 0.0878
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.032 0.0878 0.0922
Brugia malayi Nuclear hormone receptor family member nhr-3 0.032 0.0878 0.2182
Onchocerca volvulus 0.032 0.0878 0.1938
Brugia malayi CXXC zinc finger family protein 0.0029 0.0057 0.0141
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0169 0.0452 0.0452
Onchocerca volvulus 0.0151 0.0401 0.0877
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0023 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.032 0.0878 0.0878
Onchocerca volvulus 0.0017 0.0023 0.0035
Echinococcus granulosus ecdysone induced protein 78C 0.032 0.0878 0.0878
Loa Loa (eye worm) hypothetical protein 0.0169 0.0452 0.1123
Leishmania major cathepsin L-like protease 0.0064 0.0156 0.955
Onchocerca volvulus 0.0017 0.0023 0.0035
Echinococcus granulosus nuclear receptor nhr 48 0.0151 0.0401 0.0401
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0017 0.0023 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0129 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.032 0.0878 0.0878
Brugia malayi Cathepsin L-like precursor 0.0017 0.0023 0.0057
Brugia malayi follicle stimulating hormone receptor 0.0235 0.0637 0.1584
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0169 0.0452 0.1123
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0169 0.0452 0.0475
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0151 0.0401 0.0877
Loa Loa (eye worm) hypothetical protein 0.0151 0.0401 0.0996
Echinococcus multilocularis dnaJ subfamily B 0.041 0.113 0.1186
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.032 0.0878 0.2181
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0023 0.0055
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0023 0.0024
Onchocerca volvulus 0.0017 0.0023 0.0035
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0023 1
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0156 0.9614
Brugia malayi ecdysteroid receptor 0.032 0.0878 0.2182
Brugia malayi hypothetical protein 0.0151 0.0401 0.0997
Brugia malayi nuclear receptor NHR-88 0.032 0.0878 0.2182
Schistosoma mansoni nuclear receptor 0.0151 0.0401 0.0401
Loa Loa (eye worm) hypothetical protein 0.0151 0.0401 0.0996
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0016
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0001 0.0001
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0148 0.0148
Brugia malayi nuclear hormone receptor family member odr-7 0.0151 0.0401 0.0997
Echinococcus granulosus cathepsin l1 0.0011 0.0007 0.0007

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.19 uM Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay ChEMBL. 17379528
IC50 (functional) = 0.19 uM Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay ChEMBL. 17379528

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

No external resources registered 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.