Detailed information for compound 235334

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 440.496 | Formula: C24H31F3O4
  • H donors: 0 H acceptors: 0 LogP: 6.24 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@@H]1CC[C@H]2C34[C@H]1CC[C@@](OO3)(O[C@H]4OC[C@@H]2CCCc1cccc(c1)C(F)(F)F)C
  • InChi: 1S/C24H31F3O4/c1-15-9-10-20-17(7-3-5-16-6-4-8-18(13-16)24(25,26)27)14-28-21-23(20)19(15)11-12-22(2,29-21)30-31-23/h4,6,8,13,15,17,19-21H,3,5,7,9-12,14H2,1-2H3/t15-,17+,19+,20+,21-,22-,23?/m1/s1
  • InChiKey: FXYXDZUQTKDEGX-JNRMOQHNSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus epidermal growth factor receptor 0.1495 0.8233 1
Schistosoma mansoni tyrosine kinase 0.0876 0.4691 0.5698
Echinococcus granulosus tyrosine protein kinase Src42A 0.0094 0.0216 0.0262
Schistosoma mansoni thyroid hormone receptor 0.0728 0.3841 0.4666
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0343 0.1641 0.1776
Schistosoma mansoni retinoic acid receptor RXR 0.0728 0.3841 0.4666
Schistosoma mansoni tyrosine kinase 0.0094 0.0216 0.0262
Echinococcus multilocularis nuclear receptor nhr 48 0.0343 0.1641 0.1993
Brugia malayi ephrin receptor 1 precursor 0.0076 0.0109 0.0109
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0224 0.0958 0.1164
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0892 0.4782 0.5808
Brugia malayi tailless protein 0.0343 0.1641 0.1641
Trichomonas vaginalis AGC family protein kinase 0.0568 0.2925 0.5
Loa Loa (eye worm) hypothetical protein 0.0384 0.1876 0.1876
Echinococcus granulosus Nuclear hormone receptor HR96 0.0343 0.1641 0.1993
Schistosoma mansoni tyrosine kinase 0.0118 0.035 0.0425
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0094 0.0216 0.0262
Echinococcus multilocularis ecdysone induced protein 78C 0.0728 0.3841 0.4666
Loa Loa (eye worm) hypothetical protein 0.0343 0.1641 0.1641
Loa Loa (eye worm) hypothetical protein 0.0215 0.0908 0.0908
Loa Loa (eye worm) hypothetical protein 0.006 0.0017 0.0017
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0094 0.0216 0.0262
Loa Loa (eye worm) hypothetical protein 0.0728 0.3841 0.3841
Onchocerca volvulus 0.0061 0.0027 0.0029
Loa Loa (eye worm) DR-78 0.0343 0.1641 0.1641
Trypanosoma brucei aurora B kinase 0.0568 0.2925 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0728 0.3841 0.3841
Brugia malayi Immunoglobulin I-set domain containing protein 0.0061 0.0023 0.0023
Schistosoma mansoni nephrin 0.0102 0.0259 0.0314
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0224 0.0958 0.1164
Echinococcus multilocularis neuroglian 0.017 0.0649 0.0789
Schistosoma mansoni nuclear hormone receptor 0.0728 0.3841 0.4666
Loa Loa (eye worm) hypothetical protein 0.0343 0.1641 0.1641
Brugia malayi steroid hormone receptor 0.0728 0.3841 0.3841
Brugia malayi Immunoglobulin I-set domain containing protein 0.0102 0.0259 0.0259
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0073 0.0091 0.0111
Brugia malayi orphan nuclear receptor NR2E1 0.0343 0.1641 0.1641
Schistosoma mansoni tyrosine kinase 0.0907 0.487 0.5916
Onchocerca volvulus Bile acid receptor homolog 0.0728 0.3841 0.4157
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0728 0.3841 0.3841
Loa Loa (eye worm) hypothetical protein 0.0215 0.0908 0.0908
Schistosoma mansoni cell adhesion molecule 0.0102 0.0259 0.0314
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0568 0.2925 0.3553
Brugia malayi nuclear hormone receptor 0.0728 0.3841 0.3841
Loa Loa (eye worm) steroid hormone receptor 0.0728 0.3841 0.3841
Brugia malayi Nuclear hormone receptor-like 1 0.0728 0.3841 0.3841
Echinococcus granulosus roundabout 2 0.0102 0.0259 0.0314
Schistosoma mansoni tyrosine kinase 0.1495 0.8233 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0174 0.0672 0.0816
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0728 0.3841 0.4666
Schistosoma mansoni roundabout 0.0086 0.017 0.0207
Echinococcus multilocularis Immunoglobulin 0.0129 0.0413 0.0502
Echinococcus granulosus tyrosine protein kinase Fyn 0.0094 0.0216 0.0262
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0086 0.017 0.0207
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0728 0.3841 0.4666
Echinococcus granulosus tyrosine protein kinase otk 0.0086 0.017 0.0207
Loa Loa (eye worm) hypothetical protein 0.0728 0.3841 0.3841
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0568 0.2925 0.3553
Echinococcus granulosus contactin 0.0102 0.0259 0.0314
Echinococcus granulosus thyroid hormone receptor alpha 0.0343 0.1641 0.1993
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0728 0.3841 0.4666
Schistosoma mansoni nuclear hormone receptor 0.0343 0.1641 0.1993
Loa Loa (eye worm) hypothetical protein 0.0728 0.3841 0.3841
Loa Loa (eye worm) hypothetical protein 0.0086 0.017 0.017
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0343 0.1641 0.1993
Onchocerca volvulus 0.0094 0.0213 0.023
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0343 0.1641 0.1993
Schistosoma mansoni neuroglian 0.0102 0.0259 0.0314
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0086 0.017 0.0184
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0728 0.3841 0.3841
Brugia malayi Fibronectin type III domain containing protein 0.0144 0.0502 0.0502
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0728 0.3841 0.4666
Loa Loa (eye worm) hypothetical protein 0.0384 0.1876 0.1876
Schistosoma mansoni RAR-like nuclear receptor 0.0728 0.3841 0.4666
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0102 0.0259 0.0314
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0102 0.0259 0.0314
Brugia malayi Protein kinase domain containing protein 0.0277 0.1261 0.1261
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0343 0.1641 0.1993
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0728 0.3841 0.3841
Trichomonas vaginalis AGC family protein kinase 0.0568 0.2925 0.5
Echinococcus multilocularis tyrosine protein kinase HCK 0.0082 0.0142 0.0173
Onchocerca volvulus Protein ultraspiracle homolog 0.0728 0.3841 0.4157
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0343 0.1641 0.1993
Loa Loa (eye worm) hypothetical protein 0.0343 0.1641 0.1641
Echinococcus granulosus epidermal growth factor receptor 0.0907 0.487 0.5916
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0728 0.3841 0.3841
Loa Loa (eye worm) hypothetical protein 0.0144 0.0502 0.0502
Schistosoma mansoni tyrosine kinase 0.0876 0.4693 0.5701
Loa Loa (eye worm) nuclear hormone receptor 0.0343 0.1641 0.1641
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0343 0.1641 0.1993
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0384 0.1876 0.1876
Brugia malayi Immunoglobulin I-set domain containing protein 0.0144 0.0502 0.0502
Brugia malayi Furin-like cysteine rich region family protein 0.1495 0.8233 0.8233
Brugia malayi ecdysteroid receptor 0.0728 0.3841 0.3841
Loa Loa (eye worm) TK protein kinase 0.0265 0.1194 0.1194
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0728 0.3841 0.4666
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0892 0.4782 0.5808
Schistosoma mansoni titin 0.0086 0.017 0.0207
Schistosoma mansoni septate junction protein 0.0086 0.017 0.0207
Schistosoma mansoni nuclear receptor nhr-48 0.0343 0.1641 0.1993
Schistosoma mansoni tyrosine kinase 0.0094 0.0216 0.0262
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0728 0.3841 0.4666
Entamoeba histolytica protein kinase, putative 0.0568 0.2925 1
Trichomonas vaginalis AGC family protein kinase 0.0568 0.2925 0.5
Loa Loa (eye worm) hypothetical protein 0.0086 0.017 0.017
Echinococcus granulosus neuroglian 0.0102 0.0259 0.0314
Loa Loa (eye worm) hypothetical protein 0.0343 0.1641 0.1641
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0343 0.1641 0.1776
Loa Loa (eye worm) TK/ROR protein kinase 0.0073 0.0091 0.0091
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0728 0.3841 0.3841
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0061 0.0023 0.0028
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0094 0.0216 0.0262
Loa Loa (eye worm) AUR protein kinase 0.0568 0.2925 0.2925
Loa Loa (eye worm) hypothetical protein 0.0728 0.3841 0.3841
Loa Loa (eye worm) hypothetical protein 0.0728 0.3841 0.3841
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0129 0.0413 0.0502
Echinococcus multilocularis ephrin type A receptor 4 A 0.0148 0.0521 0.0632
Entamoeba histolytica protein kinase domain containing protein 0.0568 0.2925 1
Echinococcus granulosus hemicentin 1 0.0086 0.017 0.0207
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0728 0.3841 0.4666
Schistosoma mansoni titin 0.0061 0.0027 0.0032
Leishmania major protein kinase, putative 0.0568 0.2925 0.5
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0384 0.1876 0.2279
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0094 0.0216 0.0262
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0384 0.1876 0.2279
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0728 0.3841 0.4666
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0728 0.3841 0.3841
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0728 0.3841 0.3841
Echinococcus granulosus tyrosine protein kinase Fyn 0.0094 0.0216 0.0262
Loa Loa (eye worm) hypothetical protein 0.0343 0.1641 0.1641
Echinococcus granulosus Nuclear hormone receptor HR96 0.0343 0.1641 0.1993
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0088 0.018 0.0218
Brugia malayi nuclear hormone receptor family member nhr-6 0.0343 0.1641 0.1641
Brugia malayi nuclear receptor NHR-67 0.0343 0.1641 0.1641
Loa Loa (eye worm) nuclear receptor NHR-67 0.0343 0.1641 0.1641
Brugia malayi nuclear receptor RXR 0.0343 0.1641 0.1641
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0728 0.3841 0.3841
Brugia malayi hypothetical protein 0.0384 0.1876 0.1876
Onchocerca volvulus 0.1598 0.8824 0.955
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0343 0.1641 0.1993
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0086 0.017 0.017
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0728 0.3841 0.3841
Brugia malayi nuclear hormone receptor 0.0343 0.1641 0.1641
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0343 0.1641 0.1641
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0728 0.3841 0.4666
Echinococcus granulosus roundabout 2 0.0102 0.0259 0.0314
Schistosoma mansoni cell adhesion molecule 0.0086 0.017 0.0207
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0094 0.0216 0.0262
Loa Loa (eye worm) hypothetical protein 0.0144 0.0502 0.0502
Brugia malayi conserved hypotetical protein 0.0343 0.1641 0.1641
Loa Loa (eye worm) hypothetical protein 0.0728 0.3841 0.3841
Schistosoma mansoni protein kinase 0.0568 0.2925 0.3553
Brugia malayi Immunoglobulin I-set domain containing protein 0.0086 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0343 0.1641 0.1641
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0568 0.2925 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0102 0.0259 0.0314
Brugia malayi photoreceptor-specific nuclear receptor 0.0728 0.3841 0.3841
Echinococcus granulosus tyrosine kinase 0.0088 0.018 0.0218
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0728 0.3841 0.4666
Brugia malayi Nuclear hormone receptor-like 1 0.0384 0.1876 0.1876
Echinococcus multilocularis tyrosine protein kinase Srms 0.0088 0.018 0.0218
Echinococcus multilocularis insulin receptor 0.0876 0.4693 0.5701
Brugia malayi nuclear hormone receptor family member odr-7 0.0343 0.1641 0.1641
Entamoeba histolytica protein kinase, putative 0.0568 0.2925 1
Brugia malayi serine/threonine protein kinase 6 0.0568 0.2925 0.2925
Echinococcus granulosus FTZ F1 alpha 0.0728 0.3841 0.4666
Brugia malayi nuclear receptor RXR 0.0384 0.1876 0.1876
Schistosoma mansoni serine/threonine protein kinase 0.0061 0.0027 0.0032
Loa Loa (eye worm) SRC-1 0.0094 0.0216 0.0216
Echinococcus granulosus twitchin 0.0175 0.0676 0.0821
Schistosoma mansoni ephrin receptor 0.0125 0.0393 0.0477
Brugia malayi hypothetical protein 0.0384 0.1876 0.1876
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0102 0.0259 0.0314
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0088 0.018 0.0218
Brugia malayi Nuclear hormone receptor E75 0.0343 0.1641 0.1641
Trichomonas vaginalis AGC family protein kinase 0.0568 0.2925 0.5
Loa Loa (eye worm) hypothetical protein 0.0086 0.017 0.017
Brugia malayi Nuclear hormone receptor-like 1 0.0384 0.1876 0.1876
Echinococcus multilocularis tyrosine protein kinase Blk 0.0088 0.018 0.0218
Loa Loa (eye worm) TK/INSR protein kinase 0.0876 0.4693 0.4693
Loa Loa (eye worm) hypothetical protein 0.0086 0.017 0.017
Brugia malayi Immunoglobulin I-set domain containing protein 0.0102 0.0259 0.0259
Toxoplasma gondii aurora kinase 0.0568 0.2925 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.1803 1 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0245 0.1081 0.1081
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0106 0.0285 0.0285
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0086 0.017 0.017
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0728 0.3841 0.4666
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0224 0.0958 0.1164
Onchocerca volvulus Tyrosine kinase homolog 0.1671 0.924 1
Loa Loa (eye worm) hypothetical protein 0.0728 0.3841 0.3841
Echinococcus granulosus ephrin type A receptor 4 A 0.0148 0.0521 0.0632
Brugia malayi nuclear receptor NHR-88 0.0728 0.3841 0.3841
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0728 0.3841 0.3841
Echinococcus multilocularis roundabout 2 0.0231 0.0996 0.121
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0343 0.1641 0.1993
Schistosoma mansoni nuclear hormone receptor 0.0343 0.1641 0.1993
Echinococcus multilocularis peroxidasin 0.0086 0.017 0.0207
Onchocerca volvulus 0.0728 0.3841 0.4157
Brugia malayi protein unc-22 0.0061 0.0027 0.0027
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0129 0.0413 0.0502
Schistosoma mansoni tyrosine kinase 0.0876 0.4693 0.5701
Schistosoma mansoni vesicular amine transporter 0.0129 0.0413 0.0502
Loa Loa (eye worm) CAMK protein kinase 0.0061 0.0027 0.0027
Brugia malayi Protein kinase domain containing protein 0.0876 0.4693 0.4693
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0061 0.0027 0.0027
Schistosoma mansoni cell adhesion molecule 0.0189 0.076 0.0924
Brugia malayi Immunoglobulin I-set domain containing protein 0.0086 0.017 0.017
Echinococcus granulosus tyrosine protein kinase HCK 0.0082 0.0142 0.0173
Echinococcus granulosus defective proboscis extension response 0.0129 0.0413 0.0502
Echinococcus granulosus tyrosine protein kinase Src64B 0.0094 0.0216 0.0262
Loa Loa (eye worm) hypothetical protein 0.0343 0.1641 0.1641
Schistosoma mansoni cell adhesion molecule 0.0102 0.0259 0.0314
Loa Loa (eye worm) hypothetical protein 0.0384 0.1876 0.1876
Brugia malayi Immunoglobulin I-set domain containing protein 0.0265 0.1194 0.1194
Echinococcus multilocularis epidermal growth factor receptor 0.0907 0.487 0.5916
Loa Loa (eye worm) AUR protein kinase 0.0568 0.2925 0.2925
Brugia malayi protein-tyrosine kinase 0.0088 0.018 0.018
Schistosoma mansoni tyrosine kinase 0.0876 0.4691 0.5698
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0568 0.2925 1
Echinococcus granulosus peroxidasin 0.0086 0.017 0.0207
Echinococcus multilocularis tyrosine protein kinase otk 0.0086 0.017 0.0207
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0728 0.3841 0.3841
Echinococcus granulosus lachesin 0.0086 0.017 0.0207
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0728 0.3841 0.4666
Echinococcus multilocularis roundabout 2 0.0102 0.0259 0.0314
Loa Loa (eye worm) hypothetical protein 0.0129 0.0413 0.0413
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0728 0.3841 0.4157
Giardia lamblia Aurora kinase 0.0568 0.2925 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0728 0.3841 0.3841
Brugia malayi hypothetical protein 0.0144 0.0502 0.0502
Loa Loa (eye worm) hypothetical protein 0.0728 0.3841 0.3841
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0728 0.3841 0.3841
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0907 0.487 0.5916
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0094 0.0216 0.0262
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0094 0.0216 0.0262
Echinococcus granulosus roundabout 2 0.0231 0.0996 0.121
Schistosoma mansoni septate junction protein 0.0086 0.017 0.0207
Echinococcus granulosus titin 0.0061 0.0027 0.0032
Echinococcus multilocularis epidermal growth factor receptor 0.1495 0.8233 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0728 0.3841 0.4666
Loa Loa (eye worm) hypothetical protein 0.0086 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0343 0.1641 0.1641
Loa Loa (eye worm) hypothetical protein 0.0343 0.1641 0.1641
Loa Loa (eye worm) hypothetical protein 0.0094 0.0213 0.0213
Schistosoma mansoni nuclear receptor 0.0343 0.1641 0.1993
Onchocerca volvulus 0.0343 0.1641 0.1776
Echinococcus multilocularis hemicentin 1 0.0086 0.017 0.0207
Brugia malayi hypothetical protein 0.0343 0.1641 0.1641
Echinococcus granulosus tyrosine protein kinase Blk 0.0088 0.018 0.0218
Loa Loa (eye worm) hypothetical protein 0.0384 0.1876 0.1876
Echinococcus granulosus aurora kinase A 0.0568 0.2925 0.3553
Loa Loa (eye worm) TK/EPH protein kinase 0.0151 0.054 0.054
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0086 0.017 0.0207
Loa Loa (eye worm) AUR protein kinase 0.0568 0.2925 0.2925
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0568 0.2925 1
Schistosoma mansoni nephrin 0.0185 0.0737 0.0896
Brugia malayi SRC-1 0.0094 0.0216 0.0216
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0728 0.3841 0.3841
Echinococcus multilocularis aurora kinase A 0.0568 0.2925 0.3553
Echinococcus multilocularis roundabout 2 0.0102 0.0259 0.0314
Echinococcus multilocularis 0.0452 0.2262 0.2747
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0094 0.0216 0.0262
Echinococcus multilocularis FTZ F1 alpha 0.0728 0.3841 0.4666
Schistosoma mansoni coup transcription factor 0.0728 0.3841 0.4666
Brugia malayi ecdysone receptor 0.0343 0.1641 0.1641
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0728 0.3841 0.4666
Brugia malayi Peroxidasin 0.0086 0.017 0.017
Echinococcus granulosus Immunoglobulin 0.0129 0.0413 0.0502
Entamoeba histolytica protein kinase , putative 0.0568 0.2925 1
Echinococcus granulosus ecdysone induced protein 78C 0.0728 0.3841 0.4666
Brugia malayi nuclear receptor NHR-88 0.0343 0.1641 0.1641
Brugia malayi Immunoglobulin I-set domain containing protein 0.0102 0.0259 0.0259
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0728 0.3841 0.4666
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0728 0.3841 0.4666
Loa Loa (eye worm) hypothetical protein 0.0174 0.0672 0.0672
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0061 0.0023 0.0023
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0343 0.1641 0.1993
Brugia malayi Immunoglobulin I-set domain containing protein 0.0086 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0343 0.1641 0.1641
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0102 0.0259 0.0314
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0094 0.0216 0.0262
Echinococcus granulosus titin 0.0061 0.0027 0.0032
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0102 0.0259 0.0259
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0728 0.3841 0.3841
Brugia malayi Nuclear hormone receptor E75 0.0343 0.1641 0.1641
Schistosoma mansoni nuclear receptor 0.0343 0.1641 0.1993
Brugia malayi Immunoglobulin I-set domain containing protein 0.0061 0.0027 0.0027
Brugia malayi Prion-like- 0.0086 0.017 0.017
Echinococcus granulosus neuroglian 0.017 0.0649 0.0789
Schistosoma mansoni zinc finger protein 0.0343 0.1641 0.1993
Schistosoma mansoni thyroid hormone receptor 0.0728 0.3841 0.4666
Loa Loa (eye worm) hypothetical protein 0.0343 0.1641 0.1641
Schistosoma mansoni tyrosine kinase 0.0907 0.487 0.5916
Loa Loa (eye worm) TK/EGFR protein kinase 0.1495 0.8233 0.8233
Echinococcus granulosus insulin receptor 0.0876 0.4693 0.5701
Echinococcus granulosus fibroblast growth factor receptor 4 0.0224 0.0958 0.1164
Loa Loa (eye worm) hypothetical protein 0.0384 0.1876 0.1876
Onchocerca volvulus 0.0343 0.1641 0.1776
Echinococcus granulosus tyrosine protein kinase Lyn 0.0099 0.0242 0.0294
Schistosoma mansoni steroid hormone receptor ad4bp 0.0728 0.3841 0.4666
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0094 0.0216 0.0262
Echinococcus granulosus tyrosine protein kinase Fyn 0.0094 0.0216 0.0262
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0343 0.1641 0.1641
Schistosoma mansoni tyrosine kinase 0.0876 0.4691 0.5698
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0728 0.3841 0.4666
Loa Loa (eye worm) hypothetical protein 0.0086 0.017 0.017
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0102 0.0259 0.0314
Loa Loa (eye worm) hypothetical protein 0.0343 0.1641 0.1641
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0728 0.3841 0.4666
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0728 0.3841 0.4666
Plasmodium falciparum serine/threonine protein kinase, putative 0.0568 0.2925 0.5
Echinococcus multilocularis Immunoglobulin 0.0129 0.0413 0.0502
Schistosoma mansoni serine/threonine protein kinase 0.0568 0.2925 0.3553
Loa Loa (eye worm) TK protein kinase 0.0088 0.018 0.018
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0061 0.0023 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0728 0.3841 0.3841
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0728 0.3841 0.3841
Brugia malayi Immunoglobulin I-set domain containing protein 0.0086 0.017 0.017
Echinococcus multilocularis lachesin 0.0086 0.017 0.0207
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0073 0.0091 0.0111
Echinococcus granulosus nuclear receptor nhr 48 0.0343 0.1641 0.1993
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0343 0.1641 0.1993
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0568 0.2925 0.5
Loa Loa (eye worm) hypothetical protein 0.0086 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0129 0.0413 0.0413
Schistosoma mansoni tyrosine kinase 0.0224 0.0958 0.1164
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0728 0.3841 0.3841
Echinococcus multilocularis neuroglian 0.0102 0.0259 0.0314
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0384 0.1876 0.2279
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0384 0.1876 0.2279
Brugia malayi Immunoglobulin I-set domain containing protein 0.0086 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0144 0.0502 0.0502
Brugia malayi hypothetical protein 0.0343 0.1641 0.1641
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0728 0.3841 0.3841
Loa Loa (eye worm) hypothetical protein 0.0343 0.1641 0.1641
Brugia malayi Immunoglobulin I-set domain containing protein 0.0086 0.017 0.017
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0094 0.0216 0.0262
Loa Loa (eye worm) TK protein kinase 0.0082 0.0142 0.0142
Brugia malayi serine/threonine kinase 12 0.0568 0.2925 0.2925
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0129 0.0413 0.0502
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0728 0.3841 0.4666
Brugia malayi serine/threonine-protein kinase 6 0.0568 0.2925 0.2925
Echinococcus multilocularis titin 0.0061 0.0027 0.0032
Loa Loa (eye worm) hypothetical protein 0.0129 0.0413 0.0413
Brugia malayi Steroid receptor seven-up type 2 0.0728 0.3841 0.3841
Trypanosoma cruzi aurora B kinase, putative 0.0568 0.2925 0.5
Echinococcus multilocularis hemicentin 1 0.0086 0.017 0.0207

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.4 mg kg-1 Effective dose after subcutaneous administration in a mouse malaria model against Plasmodium berghei N strain for 50% inhibition ChEMBL. 12213073
ED50 (functional) = 0.6 mg kg-1 Effective dose after sc administration against Plasmodium yoelii sspNS for 50%inhibition ChEMBL. 12213073
ED50 (functional) = 1.25 mg kg-1 Effective dose after peroral administration in a mouse malaria model against Plasmodium berghei N strain for 50% inhibition ChEMBL. 12213073
ED90 (functional) = 0.75 mg kg-1 Effective dose after subcutaneous administration in a mouse malaria model against Plasmodium berghei N strain for 90% inhibition ChEMBL. 12213073
ED90 (functional) = 1 mg kg-1 Effective dose after sc administration against Plasmodium yoelii sspNS for 90%inhibition ChEMBL. 12213073
ED90 (functional) = 4.4 mg kg-1 Effective dose after peroral administration in a mouse malaria model against Plasmodium berghei N strain for 90% inhibition ChEMBL. 12213073
IC50 (functional) = 8.48 ng ml-1 Inhibitory activity against Plasmodium falciparum D6 strain ChEMBL. 12213073
IC50 (functional) = 12 ng ml-1 Inhibitory activity against Plasmodium falciparum K1 strain ChEMBL. 12213073
IC50 (functional) = 30.32 ng ml-1 Inhibitory activity against Plasmodium falciparum W2 strain ChEMBL. 12213073
IC50 (functional) = 35.6 ng ml-1 Inhibitory activity against Plasmodium falciparum NF54 strain ChEMBL. 12213073

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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