Detailed information for compound 1524678

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 512.729 | Formula: C33H44N4O
  • H donors: 0 H acceptors: 2 LogP: 6.45 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(C(C)(C)C)N1CCC(CC1)(CCN1[C@@H]2CC[C@H]1C[C@H](C2)n1c(C)nc2c1cccc2)c1ccccc1
  • InChi: 1S/C33H44N4O/c1-24-34-29-12-8-9-13-30(29)37(24)28-22-26-14-15-27(23-28)36(26)21-18-33(25-10-6-5-7-11-25)16-19-35(20-17-33)31(38)32(2,3)4/h5-13,26-28H,14-23H2,1-4H3/t26-,27+,28+
  • InChiKey: SBQOMISLKZTLHT-KUMHGWDASA-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 chemokine (C-C motif) receptor 2 Starlite/ChEMBL References
Homo sapiens potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
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
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0047 0.14 0.192
Loa Loa (eye worm) steroid hormone receptor 0.0047 0.14 0.14
Echinococcus granulosus aldo keto reductase 0.0106 0.3935 0.3935
Schistosoma mansoni steroid hormone receptor ad4bp 0.0047 0.14 0.192
Loa Loa (eye worm) hypothetical protein 0.0025 0.0434 0.0434
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0015 0.000000037533 0.000000037533
Schistosoma mansoni nuclear receptor 0.0022 0.0319 0.0437
Loa Loa (eye worm) hypothetical protein 0.0022 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.0022 0.0319 0.0319
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0076 0.2668 0.2668
Trichomonas vaginalis aldo-keto reductase, putative 0.0106 0.3935 1
Plasmodium falciparum aldo-keto reductase, putative 0.0031 0.068 0.5
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0106 0.3935 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0106 0.3935 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0047 0.14 0.14
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0068 0.2325 0.2325
Loa Loa (eye worm) DR-78 0.0022 0.0319 0.0319
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0047 0.14 0.14
Trichomonas vaginalis aldo/keto reductase, putative 0.0106 0.3935 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0106 0.3935 0.3935
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0022 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.0039 0.1031 0.1031
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0106 0.3935 0.3935
Trichomonas vaginalis aldo-keto reductase, putative 0.0106 0.3935 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.1159 0.2829
Trichomonas vaginalis aldo-keto reductase, putative 0.0106 0.3935 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0106 0.3935 1
Onchocerca volvulus 0.0106 0.3935 0.7505
Echinococcus granulosus Ankyrin 0.0015 0.0006 0.0006
Echinococcus multilocularis ecdysone induced protein 78C 0.0047 0.14 0.14
Onchocerca volvulus Protein ultraspiracle homolog 0.0047 0.14 0.2671
Brugia malayi nuclear receptor NHR-88 0.0022 0.0319 0.0319
Brugia malayi Nuclear hormone receptor-like 1 0.0025 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0047 0.14 0.14
Echinococcus multilocularis voltage gated potassium channel subunit 0.0031 0.068 0.068
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0047 0.14 0.14
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0022 0.0319 0.0319
Schistosoma mansoni coup transcription factor 0.0047 0.14 0.192
Brugia malayi PAS domain containing protein 0.0063 0.2091 0.2091
Echinococcus granulosus voltage gated potassium channel subunit 0.0031 0.068 0.068
Giardia lamblia Aldose reductase 0.0106 0.3935 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0047 0.14 0.14
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0106 0.3935 0.3935
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0106 0.3935 0.3935
Echinococcus multilocularis Ankyrin 0.0015 0.0006 0.0006
Echinococcus multilocularis survival motor neuron protein 1 0.0245 1 1
Schistosoma mansoni survival motor neuron protein 0.005 0.1524 0.209
Loa Loa (eye worm) hypothetical protein 0.0022 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.0022 0.0319 0.0319
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0022 0.0319 0.0319
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0022 0.0319 0.0319
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0047 0.14 0.14
Schistosoma mansoni nuclear receptor nhr-48 0.0022 0.0319 0.0437
Leishmania major protein kinase, putative 0.0022 0.032 0.066
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0047 0.14 0.14
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0016 0.0064 0.5
Schistosoma mansoni pol-related 0.0106 0.3935 0.5395
Loa Loa (eye worm) hypothetical protein 0.0022 0.0319 0.0319
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0106 0.3935 1
Brugia malayi ecdysteroid receptor 0.0047 0.14 0.14
Loa Loa (eye worm) hypothetical protein 0.0025 0.0434 0.0434
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0031 0.068 0.1591
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0047 0.14 0.14
Loa Loa (eye worm) hypothetical protein 0.0022 0.0319 0.0319
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0031 0.068 0.068
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0047 0.14 0.14
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0025 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0025 0.0434 0.0434
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.068 0.1591
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0106 0.3935 0.3935
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0106 0.3935 0.3935
Echinococcus multilocularis aryl hydrocarbon receptor 0.0136 0.5266 0.5266
Brugia malayi hypothetical protein 0.0022 0.0319 0.0319
Echinococcus granulosus ecdysone induced protein 78C 0.0047 0.14 0.14
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0319 0.0319
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0047 0.14 0.192
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.1464 0.2008
Trichomonas vaginalis aldo-keto reductase, putative 0.0106 0.3935 1
Giardia lamblia Aldose reductase 0.0106 0.3935 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0106 0.3935 0.3935
Trichomonas vaginalis aldo-keto reductase, putative 0.0106 0.3935 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0047 0.14 0.14
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0106 0.3935 0.3935
Trichomonas vaginalis aldo-keto reductase, putative 0.0106 0.3935 1
Brugia malayi nuclear receptor NHR-88 0.0047 0.14 0.14
Loa Loa (eye worm) hypothetical protein 0.0106 0.3935 0.3935
Onchocerca volvulus 0.0022 0.0319 0.0608
Schistosoma mansoni aldo-keto reductase 0.0106 0.3935 0.5395
Brugia malayi Death domain containing protein 0.0015 0.000000037533 0.000000037533
Trichomonas vaginalis aldo/keto reductase, putative 0.0106 0.3935 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.5243 0.5243
Brugia malayi hypothetical protein 0.0022 0.0319 0.0319
Leishmania major prostaglandin f synthase, putative 0.0106 0.3935 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0068 0.2325 0.5054
Onchocerca volvulus 0.0106 0.3935 0.7505
Echinococcus multilocularis transfer RNA-Lys 0.0047 0.1379 0.1379
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0106 0.3935 0.3935
Echinococcus multilocularis nuclear receptor nhr 48 0.0022 0.0319 0.0319
Trichomonas vaginalis aldo-keto reductase, putative 0.0106 0.3935 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.14 0.14
Echinococcus multilocularis aldo keto reductase 0.0106 0.3935 0.3935
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0047 0.14 0.14
Brugia malayi tailless protein 0.0022 0.0319 0.0319
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0319 0.0437
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0047 0.14 0.14
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0047 0.14 0.14
Schistosoma mansoni potassium channel beta 0.0031 0.068 0.0932
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0047 0.14 0.14
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0022 0.0319 0.0437
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0031 0.068 0.5
Schistosoma mansoni thyroid hormone receptor 0.0047 0.14 0.192
Trypanosoma brucei aldo-keto reductase, putative 0.0106 0.3935 1
Echinococcus multilocularis aldehyde reductase 0.0075 0.2607 0.2607
Loa Loa (eye worm) hypothetical protein 0.0025 0.0434 0.0434
Mycobacterium leprae Possible oxidoreductase 0.0031 0.068 0.1591
Trichomonas vaginalis aldo-keto reductase, putative 0.0106 0.3935 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.1287 0.1287
Loa Loa (eye worm) nuclear receptor NHR-67 0.0022 0.0319 0.0319
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0047 0.14 0.14
Mycobacterium ulcerans oxidoreductase 0.0106 0.3935 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.1287 0.1287
Echinococcus granulosus single minded 2 0.0051 0.1557 0.1557
Loa Loa (eye worm) hypothetical protein 0.0016 0.0064 0.0064
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0106 0.3935 0.3935
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0017 0.0088 0.0088
Brugia malayi nuclear hormone receptor family member nhr-6 0.0022 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.0047 0.14 0.14
Schistosoma mansoni aryl hydrocarbon receptor 0.0183 0.7293 1
Loa Loa (eye worm) oxidoreductase 0.0106 0.3935 0.3935
Echinococcus multilocularis aldo keto reductase 0.0106 0.3935 0.3935
Schistosoma mansoni nuclear hormone receptor 0.0047 0.14 0.192
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0047 0.14 0.14
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0047 0.14 0.14
Echinococcus granulosus aldo keto reductase 0.0106 0.3935 0.3935
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0017 0.0088 0.0088
Trichomonas vaginalis aldo/keto reductase, putative 0.0106 0.3935 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.2325 0.5841
Schistosoma mansoni zinc finger protein 0.0022 0.0319 0.0437
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0047 0.14 0.14
Brugia malayi bHLH-PAS transcription factor 0.0047 0.1379 0.1379
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0047 0.14 0.14
Brugia malayi Steroid receptor seven-up type 2 0.0047 0.14 0.14
Loa Loa (eye worm) oxidoreductase 0.0106 0.3935 0.3935
Brugia malayi Nuclear hormone receptor E75 0.0022 0.0319 0.0319
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0106 0.3935 0.3935
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0068 0.2325 0.2325
Brugia malayi nuclear receptor NHR-67 0.0022 0.0319 0.0319
Echinococcus granulosus aldehyde reductase 0.0075 0.2607 0.2607
Trypanosoma cruzi aldo-keto reductase 0.0106 0.3935 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0106 0.3935 1
Echinococcus granulosus transcription factor Dp 1 0.004 0.1073 0.1073
Entamoeba histolytica hypothetical protein 0.0037 0.0973 0.0899
Entamoeba histolytica hypothetical protein 0.0037 0.0973 0.0899
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0047 0.14 0.14
Brugia malayi ecdysone receptor 0.0022 0.0319 0.0319
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0047 0.14 0.192
Brugia malayi nuclear hormone receptor 0.0022 0.0319 0.0319
Brugia malayi Nuclear hormone receptor E75 0.0022 0.0319 0.0319
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0319 0.0437
Brugia malayi Nuclear hormone receptor-like 1 0.0047 0.14 0.14
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0022 0.0319 0.0319
Echinococcus granulosus aldo keto reductase 0.0106 0.3935 0.3935
Brugia malayi conserved hypotetical protein 0.0022 0.0319 0.0319
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0106 0.3935 0.3935
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0047 0.14 0.14
Echinococcus granulosus nuclear receptor nhr 48 0.0022 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.0047 0.14 0.14
Loa Loa (eye worm) hypothetical protein 0.012 0.4555 0.4555
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.068 0.1591
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0031 0.068 0.068
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0047 0.14 0.14
Loa Loa (eye worm) hypothetical protein 0.0022 0.0319 0.0319
Brugia malayi orphan nuclear receptor NR2E1 0.0022 0.0319 0.0319
Onchocerca volvulus Bile acid receptor homolog 0.0047 0.14 0.2671
Brugia malayi NADH-dependent xylose reductase 0.0031 0.068 0.068
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0106 0.3935 0.3935
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0068 0.2325 0.2325
Echinococcus multilocularis FTZ F1 alpha 0.0047 0.14 0.14
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0047 0.14 0.192
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0025 0.0434 0.0596
Brugia malayi Protein kinase domain containing protein 0.0015 0.000000037533 0.000000037533
Onchocerca volvulus 0.005 0.1524 0.2908
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0068 0.2325 0.2325
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0973 0.0973
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0106 0.3935 0.3935
Onchocerca volvulus 0.0106 0.3935 0.7505
Mycobacterium leprae Conserved hypothetical protein 0.0075 0.2607 0.6571
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0106 0.3935 0.3935
Onchocerca volvulus 0.0031 0.068 0.1297
Onchocerca volvulus 0.0106 0.3935 0.7505
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.1287 0.1287
Onchocerca volvulus 0.0022 0.0319 0.0608
Entamoeba histolytica aldose reductase, putative 0.0106 0.3935 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.1524 0.1524
Loa Loa (eye worm) hypothetical protein 0.0047 0.14 0.14
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0047 0.14 0.192
Onchocerca volvulus 0.0106 0.3935 0.7505
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0106 0.3935 0.3935
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0047 0.14 0.14
Loa Loa (eye worm) oxidoreductase 0.0106 0.3935 0.3935
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0106 0.3935 0.3935
Schistosoma mansoni single-minded 0.0063 0.2091 0.2867
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.1464 0.2008
Brugia malayi hypothetical protein 0.0025 0.0434 0.0434
Echinococcus granulosus nuclear factor of activated T cells 5 0.0076 0.2668 0.2668
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0022 0.0319 0.0319
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0106 0.3935 0.3935
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0006 0.0008
Plasmodium vivax aldehyde reductase, putative 0.0031 0.068 0.5
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0022 0.0319 0.0608
Loa Loa (eye worm) oxidoreductase 0.0106 0.3935 0.3935
Toxoplasma gondii aldose reductase, putative 0.0106 0.3935 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0025 0.0434 0.0434
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.2325 0.5054
Plasmodium falciparum aldehyde reductase, putative 0.0031 0.068 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0047 0.14 0.192
Loa Loa (eye worm) hypothetical protein 0.0022 0.0319 0.0319
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0025 0.0434 0.0596
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0106 0.3935 0.3935
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.068 0.1591
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0047 0.14 0.14
Loa Loa (eye worm) hypothetical protein 0.0022 0.0319 0.0319
Onchocerca volvulus 0.0047 0.1403 0.2675
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0047 0.14 0.14
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0106 0.3935 0.3935
Loa Loa (eye worm) hypothetical protein 0.0047 0.14 0.14
Loa Loa (eye worm) nuclear hormone receptor 0.0022 0.0319 0.0319
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0047 0.14 0.14
Brugia malayi nuclear receptor RXR 0.0022 0.0319 0.0319
Brugia malayi nuclear hormone receptor 0.0047 0.14 0.14
Brugia malayi steroid hormone receptor 0.0047 0.14 0.14
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0025 0.0434 0.0434
Schistosoma mansoni ankyrin 23/unc44 0.0015 0.000000037533 0.000000051465
Entamoeba histolytica hypothetical protein 0.0037 0.0973 0.0899
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0106 0.3935 0.3935
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0068 0.2325 0.5841
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0047 0.14 0.2671
Echinococcus multilocularis aldo keto reductase 0.0106 0.3935 0.3935
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0319 0.0319
Echinococcus granulosus thyroid hormone receptor alpha 0.0022 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.0022 0.0319 0.0319
Brugia malayi hypothetical protein 0.0025 0.0434 0.0434
Echinococcus multilocularis thyroid hormone receptor alpha 0.0047 0.14 0.14
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.1159 0.2829
Trichomonas vaginalis aldo-keto reductase, putative 0.0106 0.3935 1
Loa Loa (eye worm) hypothetical protein 0.0245 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0006 0.0006
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0047 0.14 0.14
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0119 0.4531 0.4531
Brugia malayi hypothetical protein 0.0037 0.0973 0.0973
Brugia malayi photoreceptor-specific nuclear receptor 0.0047 0.14 0.14
Brugia malayi nuclear receptor RXR 0.0025 0.0434 0.0434
Entamoeba histolytica hypothetical protein 0.0037 0.0973 0.0899
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0047 0.14 0.14
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0031 0.068 0.068
Onchocerca volvulus 0.0106 0.3935 0.7505
Schistosoma mansoni RAR-like nuclear receptor 0.0047 0.14 0.192
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.1287 0.1287
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0106 0.3935 0.3935
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0106 0.3935 1
Trypanosoma brucei prostaglandin f synthase 0.0106 0.3935 1
Leishmania major aldo-keto reductase-like protein 0.0106 0.3935 1
Schistosoma mansoni retinoic acid receptor RXR 0.0047 0.14 0.192
Trichomonas vaginalis aldo-keto reductase, putative 0.0106 0.3935 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0047 0.14 0.14
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0047 0.14 0.14
Entamoeba histolytica aldose reductase, putative 0.0106 0.3935 1
Loa Loa (eye worm) oxidoreductase 0.0106 0.3935 0.3935
Echinococcus granulosus survival motor neuron protein 1 0.0245 1 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.14 0.14
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0047 0.14 0.14
Echinococcus granulosus FTZ F1 alpha 0.0047 0.14 0.14
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0106 0.3935 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.2325 0.5841
Onchocerca volvulus 0.0136 0.5243 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0106 0.3935 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0319 0.0319
Echinococcus granulosus Nuclear hormone receptor HR96 0.0022 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.0047 0.14 0.14
Brugia malayi Nuclear hormone receptor-like 1 0.0025 0.0434 0.0434
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0022 0.0319 0.0437
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0017 0.0088 0.0088
Echinococcus granulosus Nuclear hormone receptor HR96 0.0022 0.0319 0.0319
Brugia malayi Uncoordinated protein 44 0.0015 0.000000037533 0.000000037533
Schistosoma mansoni nuclear receptor 0.0022 0.0319 0.0437
Schistosoma mansoni thyroid hormone receptor 0.0047 0.14 0.192
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0022 0.0319 0.0608
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0106 0.3935 0.3935
Schistosoma mansoni hypothetical protein 0.0037 0.0973 0.1334
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0047 0.14 0.14
Echinococcus multilocularis transcription factor Dp 1 0.004 0.1073 0.1073
Schistosoma mansoni hypothetical protein 0.005 0.1524 0.209
Trichomonas vaginalis aldo-keto reductase, putative 0.0106 0.3935 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0319 0.0319
Echinococcus granulosus aryl hydrocarbon receptor 0.0136 0.5266 0.5266
Schistosoma mansoni aldo-keto reductase 0.0106 0.3935 0.5395
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.068 0.1591
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0973 0.0973
Mycobacterium ulcerans putative regulatory protein 0.0047 0.1379 0.2148
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0022 0.0319 0.0319
Entamoeba histolytica aldose reductase, putative 0.0106 0.3935 1
Brugia malayi hypothetical protein 0.0016 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0022 0.0319 0.0319
Trypanosoma cruzi aldo/keto reductase, putative 0.0031 0.068 0.1591
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0106 0.3935 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0068 0.2325 0.3188
Echinococcus granulosus hypothetical protein 0.0106 0.3935 0.3935
Loa Loa (eye worm) hypothetical protein 0.0119 0.4531 0.4531
Echinococcus multilocularis aldo keto reductase 0.0106 0.3935 0.3935
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0047 0.14 0.14
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0047 0.14 0.14
Onchocerca volvulus 0.0047 0.14 0.2671
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0031 0.068 0.1591
Loa Loa (eye worm) hypothetical protein 0.0025 0.0434 0.0434
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0973 0.1334
Brugia malayi nuclear hormone receptor family member odr-7 0.0022 0.0319 0.0319
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0015 0.000000037533 0.000000037533
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0106 0.3935 0.3935

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6 Inhibition of human Erg by patch clamp assay ChEMBL. 21539377
IC50 (binding) = 9.45 Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting ChEMBL. 21539377

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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