Detailed information for compound 38542

Basic information

Technical information
  • TDR Targets ID: 38542
  • Name: 2,2,2-trifluoro-N-[(7S)-2-hydroxy-1,3,10-trim ethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen- 7-yl]acetamide
  • MW: 439.382 | Formula: C21H20F3NO6
  • H donors: 2 H acceptors: 3 LogP: 2.75 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)O)NC(=O)C(F)(F)F
  • InChi: 1S/C21H20F3NO6/c1-29-15-7-5-11-12(9-14(15)26)13(25-20(28)21(22,23)24)6-4-10-8-16(30-2)18(27)19(31-3)17(10)11/h5,7-9,13,27H,4,6H2,1-3H3,(H,25,28)/t13-/m0/s1
  • InChiKey: BXGLTIXFXLUVOH-ZDUSSCGKSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2,2,2-trifluoro-N-[(7S)-2-hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide
  • 2,2,2-trifluoro-N-[(7S)-2-hydroxy-9-keto-1,3,10-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
  • 2,2,2-trifluoro-N-[(7S)-2-hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
  • 2,2,2-trifluoro-N-[(7S)-2-hydroxy-9-keto-1,3,10-trimethoxy-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
  • 2,2,2-trifluoro-N-[(7S)-2-hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
  • 86436-46-6
  • 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine
  • Acetamide, N-(2-hydroxy-9-oxo-1,3,10-trimethoxy-5,6,7,9-tetrahydrobenzo(a)heptalen-7-yl)-2,2,2-trifluoro-
  • BRN 4829346
  • NSC 335989
  • Acetamide, 2,2,2-trifluoro-N-(5,6,7,9-tetrahydro-2-hydroxy-1,3,10-trimethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-
  • COLCHINE, 2-DEMETHYL, N-TRIFLUORO ACETYL
  • NSC335989
  • NCI60_002948
  • AIDS-032112
  • AIDS032112

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
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Brugia malayi RNase H family protein 0.0254 0.2512 1
Trypanosoma brucei hypothetical protein, conserved 0.0275 0.2743 0.2728
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0056 0.0393 0.1564
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0056 0.0393 0.0373
Brugia malayi sulfakinin receptor protein 0.0056 0.0393 0.1564
Echinococcus granulosus ribonuclease H1 0.0254 0.2512 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0056 0.0393 0.2268
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0056 0.0393 0.1495
Schistosoma mansoni neuropeptide receptor 0.0056 0.0393 0.0373
Echinococcus granulosus neuropeptide FF receptor 2 0.0056 0.0393 0.1495
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Schistosoma mansoni neuropeptide receptor 0.0056 0.0393 0.0373
Onchocerca volvulus 0.0056 0.0393 0.1495
Trypanosoma cruzi ribonuclease H1, putative 0.0254 0.2512 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0056 0.0393 0.0373
Brugia malayi Pao retrotransposon peptidase family protein 0.0022 0.002 0.0081
Onchocerca volvulus 0.0056 0.0393 0.1495
Echinococcus multilocularis neuropeptide receptor 0.0056 0.0393 0.1495
Mycobacterium tuberculosis Possible maturase 0.0022 0.002 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0056 0.0393 0.1564
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0056 0.0393 0.1564
Brugia malayi Dopamine receptor protein 2 0.0056 0.0393 0.1564
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Onchocerca volvulus Ribonuclease H1 homolog 0.0254 0.2512 1
Schistosoma mansoni adenoreceptor 0.0056 0.0393 0.0373
Schistosoma mansoni alpha-1 adrenergic receptor 0.0056 0.0393 0.0373
Echinococcus multilocularis g protein coupled receptor 0.0056 0.0393 0.1495
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0116 0.0096
Echinococcus granulosus hypothetical protein 0.0056 0.0393 0.1495
Brugia malayi Tachykinin-like peptides receptor 99D 0.0056 0.0393 0.1564
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0056 0.0393 0.0373
Brugia malayi Dopamine receptor protein 1 0.0056 0.0393 0.1564
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Brugia malayi hypothetical protein 0.0056 0.0393 0.1564
Brugia malayi hypothetical protein 0.0022 0.002 0.0081
Echinococcus multilocularis G protein coupled receptor 139 0.0056 0.0393 0.1495
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0056 0.0393 0.0373
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0056 0.0393 0.0373
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Schistosoma mansoni hypothetical protein 0.0043 0.0256 0.0236
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0056 0.0393 0.0373
Trypanosoma cruzi ribonuclease H1, putative 0.0254 0.2512 1
Brugia malayi hypothetical protein 0.0056 0.0393 0.1564
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0056 0.0393 0.1495
Trypanosoma brucei ribonuclease H1 0.0254 0.2512 0.2497
Echinococcus granulosus tm gpcr rhodopsin 0.0056 0.0393 0.1495
Echinococcus granulosus rhodopsin orphan GPCR 0.0056 0.0393 0.1495
Brugia malayi MH2 domain containing protein 0.0144 0.1337 0.5324
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0382 0.1453
Brugia malayi Pao retrotransposon peptidase family protein 0.0022 0.002 0.0081
Schistosoma mansoni hypothetical protein 0.0056 0.0393 0.0373
Echinococcus granulosus biogenic amine 5HT receptor 0.0056 0.0393 0.1495
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0116 0.5
Brugia malayi RNase H family protein 0.0254 0.2512 1
Onchocerca volvulus 0.0056 0.0393 0.1495
Echinococcus granulosus neuropeptide Y receptor 0.0056 0.0393 0.1495
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0056 0.0393 0.1495
Brugia malayi putative neuropeptide receptor 0.0056 0.0393 0.1564
Brugia malayi Pao retrotransposon peptidase family protein 0.0022 0.002 0.0081
Echinococcus granulosus rhodopsin orphan GPCR 0.0056 0.0393 0.1495
Brugia malayi Pao retrotransposon peptidase family protein 0.0022 0.002 0.0081
Brugia malayi hypothetical protein 0.0056 0.0393 0.1564
Brugia malayi G-protein coupled receptor 0.0056 0.0393 0.1564
Echinococcus multilocularis serotonin receptor 0.0056 0.0393 0.1495
Schistosoma mansoni amine GPCR 0.0056 0.0393 0.0373
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0382 0.0363
Brugia malayi RE15519p 0.0056 0.0393 0.1564
Schistosoma mansoni hypothetical protein 0.0041 0.0231 0.0211
Onchocerca volvulus 0.0056 0.0393 0.1495
Brugia malayi Pao retrotransposon peptidase family protein 0.0022 0.002 0.0081
Brugia malayi putative neuropeptide receptor NPR1 0.0056 0.0393 0.1564
Brugia malayi neuropeptide F receptor 0.0056 0.0393 0.1564
Echinococcus multilocularis neuropeptide Y receptor 0.0056 0.0393 0.1495
Schistosoma mansoni neuropeptide f receptor 76f 0.0056 0.0393 0.0373
Brugia malayi RNase H family protein 0.0254 0.2512 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Onchocerca volvulus 0.0056 0.0393 0.1495
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0056 0.0393 0.2268
Echinococcus multilocularis rhodopsin orphan GPCR 0.0056 0.0393 0.1495
Echinococcus multilocularis g-protein coupled receptor 0.0056 0.0393 0.1495
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0056 0.0393 0.0373
Trypanosoma brucei ingi protein (ORF1) 0.0275 0.2743 0.2728
Brugia malayi AKH receptor 0.0056 0.0393 0.1564
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0056 0.0393 0.2268
Loa Loa (eye worm) hypothetical protein 0.006 0.0435 0.2617
Brugia malayi Zinc knuckle family protein 0.0022 0.002 0.0081
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0056 0.0393 0.0373
Brugia malayi hypothetical protein 0.0056 0.0393 0.1564
Echinococcus granulosus g-protein coupled receptor 0.0056 0.0393 0.1495
Brugia malayi hypothetical protein 0.0056 0.0393 0.1564
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0254 0.2512 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1337 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0056 0.0393 0.2268
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0056 0.0393 0.2268
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0116 0.5
Giardia lamblia Ribonuclease H 0.0254 0.2512 1
Echinococcus multilocularis g protein coupled receptor 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Brugia malayi Pao retrotransposon peptidase family protein 0.0022 0.002 0.0081
Schistosoma mansoni opsin-like receptor 0.0056 0.0393 0.0373
Entamoeba histolytica hypothetical protein 0.0043 0.0256 0.5
Brugia malayi hypothetical protein 0.0022 0.002 0.0081
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0382 0.1453
Brugia malayi reverse transcriptase 0.0022 0.002 0.0081
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0056 0.0393 0.1495
Echinococcus multilocularis rhodopsin orphan GPCR 0.0056 0.0393 0.1495
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0056 0.0393 0.0373
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Brugia malayi hypothetical protein 0.0022 0.002 0.0081
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0056 0.0393 0.1495
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0056 0.0393 0.0373
Schistosoma mansoni phosphoglucomutase 0.0254 0.2512 0.2497
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0056 0.0393 0.1495
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0116 0.0384
Echinococcus multilocularis fmrfamide receptor 0.0056 0.0393 0.1495
Treponema pallidum ribonuclease H (rnhA) 0.0254 0.2512 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0056 0.0393 0.1495
Echinococcus granulosus neuropeptide receptor A26 0.0056 0.0393 0.1495
Echinococcus granulosus neuropeptide receptor 0.0056 0.0393 0.1495
Echinococcus granulosus somatostatin receptor 0.0056 0.0393 0.1495
Trypanosoma brucei ingi protein (ORF1) 0.0275 0.2743 0.2728
Brugia malayi Pao retrotransposon peptidase family protein 0.0022 0.002 0.0081
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Echinococcus multilocularis neuropeptides capa receptor 0.0056 0.0393 0.1495
Echinococcus multilocularis neuropeptide receptor 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Schistosoma mansoni histamine h1 receptor 0.0056 0.0393 0.0373
Brugia malayi hypothetical protein 0.003 0.0116 0.0461
Echinococcus granulosus fmrfamide receptor 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Echinococcus granulosus g protein coupled receptor 0.0056 0.0393 0.1495
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1337 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Schistosoma mansoni biogenic amine receptor 0.0056 0.0393 0.0373
Schistosoma mansoni hypothetical protein 0.0056 0.0393 0.0373
Echinococcus multilocularis neuropeptide FF receptor 2 0.0056 0.0393 0.1495
Brugia malayi hypothetical protein 0.0022 0.002 0.0081
Echinococcus granulosus g protein coupled receptor 0.0056 0.0393 0.1495
Echinococcus granulosus dro:myosuppressin receptor 0.0056 0.0393 0.1495
Brugia malayi Pao retrotransposon peptidase family protein 0.0022 0.002 0.0081
Echinococcus granulosus geminin 0.0205 0.1987 0.7892
Brugia malayi Pao retrotransposon peptidase family protein 0.0022 0.002 0.0081
Schistosoma mansoni amine GPCR 0.0056 0.0393 0.0373
Loa Loa (eye worm) neuropeptide F receptor 0.0056 0.0393 0.2268
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Schistosoma mansoni neuropeptide F-like receptor 0.0056 0.0393 0.0373
Echinococcus multilocularis neuropeptide receptor A26 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Echinococcus granulosus neuropeptides capa receptor 0.0056 0.0393 0.1495
Schistosoma mansoni myosin xvIII 0.0056 0.0393 0.0373
Brugia malayi neuropeptide F receptor 0.0056 0.0393 0.1564
Echinococcus granulosus rhodopsin orphan GPCR 0.0056 0.0393 0.1495
Schistosoma mansoni biogenic amine receptor 0.0056 0.0393 0.0373
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Toxoplasma gondii ribonuclease HI protein 0.0254 0.2512 1
Brugia malayi hypothetical protein 0.0056 0.0393 0.1564
Entamoeba histolytica hypothetical protein 0.0043 0.0256 0.5
Trichomonas vaginalis ribonuclease H1, putative 0.0254 0.2512 1
Echinococcus multilocularis geminin 0.0205 0.1987 0.7892
Echinococcus multilocularis sex peptide receptor 0.0056 0.0393 0.1495
Schistosoma mansoni hypothetical protein 0.0056 0.0393 0.0373
Echinococcus multilocularis somatostatin receptor 0.0056 0.0393 0.1495
Schistosoma mansoni phosphoglucomutase 0.0254 0.2512 0.2497
Brugia malayi Pao retrotransposon peptidase family protein 0.0022 0.002 0.0081
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Schistosoma mansoni hypothetical protein 0.0205 0.1987 0.197
Loa Loa (eye worm) TYRA-2 protein 0.0056 0.0393 0.2268
Schistosoma mansoni biogenic amine (5HT) receptor 0.0056 0.0393 0.0373
Echinococcus multilocularis fmrfamide receptor 0.0056 0.0393 0.1495
Schistosoma mansoni neuropeptide receptor 0.0056 0.0393 0.0373
Schistosoma mansoni opsin-like receptor 0.0056 0.0393 0.0373
Brugia malayi GnHR receptor homolog 0.0056 0.0393 0.1564
Echinococcus granulosus G protein coupled receptor 139 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Echinococcus granulosus rhodopsin orphan GPCR 0.0056 0.0393 0.1495
Schistosoma mansoni amine GPCR 0.0056 0.0393 0.0373
Onchocerca volvulus 0.0056 0.0393 0.1495
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0116 0.0384
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0056 0.0393 0.1495
Brugia malayi Serotonin receptor 0.0056 0.0393 0.1564
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0056 0.0393 0.0373
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0056 0.0393 0.1564
Echinococcus granulosus rhodopsin orphan GPCR 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Brugia malayi hypothetical protein 0.0056 0.0393 0.1564
Echinococcus granulosus tachykinin peptides receptor 99D 0.0056 0.0393 0.1495
Brugia malayi hypothetical protein 0.0056 0.0393 0.1564
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0056 0.0393 0.0373
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0056 0.0393 0.0373
Brugia malayi Zinc knuckle family protein 0.0022 0.002 0.0081
Onchocerca volvulus 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Echinococcus multilocularis rhodopsin orphan GPCR 0.0056 0.0393 0.1495
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0231 0.0919
Onchocerca volvulus 0.0056 0.0393 0.1495
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0056 0.0393 0.1495
Brugia malayi G protein-coupled receptor 0.0056 0.0393 0.1564
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Echinococcus granulosus 7tm_1 domain containing protein 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Brugia malayi G-protein coupled receptor 0.0056 0.0393 0.1564
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Echinococcus multilocularis G-protein coupled receptor, putative 0.0056 0.0393 0.1495
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0056 0.0393 0.0373
Echinococcus granulosus neuropeptide Y receptor 0.0056 0.0393 0.1495
Onchocerca volvulus 0.0056 0.0393 0.1495
Onchocerca volvulus 0.0056 0.0393 0.1495
Leishmania major ribonuclease H1, putative 0.0254 0.2512 1
Schistosoma mansoni hypothetical protein 0.0205 0.1987 0.197
Schistosoma mansoni neuropeptide receptor 0.0056 0.0393 0.0373
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0056 0.0393 0.1495
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0056 0.0393 0.0373
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0382 0.0363
Brugia malayi Pao retrotransposon peptidase family protein 0.0022 0.002 0.0081
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0056 0.0393 0.2268
Onchocerca volvulus Neuropeptide F receptor homolog 0.0056 0.0393 0.1495
Loa Loa (eye worm) neuropeptide F receptor 0.0056 0.0393 0.2268
Onchocerca volvulus 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Brugia malayi reverse transcriptase 0.0022 0.002 0.0081
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0382 0.1522
Loa Loa (eye worm) G-protein coupled receptor 0.0056 0.0393 0.2268
Onchocerca volvulus 0.0056 0.0393 0.1495
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0056 0.0393 0.0373
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0056 0.0393 0.1495
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0056 0.0393 0.1495
Echinococcus granulosus serotonin receptor 0.0056 0.0393 0.1495
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0435 0.1734
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0116 0.5
Schistosoma mansoni phosphoglucomutase 0.0254 0.2512 0.2497
Brugia malayi Pao retrotransposon peptidase family protein 0.0022 0.002 0.0081
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0056 0.0393 0.0373
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0056 0.0393 0.1564
Echinococcus granulosus allatostatin A receptor 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Onchocerca volvulus 0.0056 0.0393 0.1495
Echinococcus multilocularis neuropeptide Y receptor 0.0056 0.0393 0.1495
Echinococcus multilocularis allatostatin A receptor 0.0056 0.0393 0.1495
Brugia malayi Melatonin receptor type 1A 0.0056 0.0393 0.1564
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0056 0.0393 0.0373
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Brugia malayi larval opioid receptor 0.0056 0.0393 0.1564
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0382 0.218
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0435 0.2617
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Echinococcus multilocularis serotonin receptor 0.0056 0.0393 0.1495
Brugia malayi Pao retrotransposon peptidase family protein 0.0022 0.002 0.0081
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Echinococcus granulosus neuropeptide receptor 0.0056 0.0393 0.1495
Brugia malayi hypothetical protein 0.0043 0.0256 0.1017
Echinococcus granulosus 7TM GPCR rhodopsin 0.0056 0.0393 0.1495
Echinococcus granulosus biogenic amine 5HT receptor 0.0056 0.0393 0.1495
Echinococcus granulosus sex peptide receptor 0.0056 0.0393 0.1495
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0382 0.1453
Schistosoma mansoni biogenic amine (5HT) receptor 0.0056 0.0393 0.0373
Echinococcus multilocularis dro:myosuppressin receptor 0.0056 0.0393 0.1495
Echinococcus multilocularis rhodopsin orphan GPCR 0.0056 0.0393 0.1495
Schistosoma mansoni amine GPCR 0.0056 0.0393 0.0373
Entamoeba histolytica hypothetical protein 0.0043 0.0256 0.5
Schistosoma mansoni biogenic amine receptor 0.0056 0.0393 0.0373
Brugia malayi hypothetical protein 0.0056 0.0393 0.1564
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0056 0.0393 0.1495
Brugia malayi reverse transcriptase 0.0022 0.002 0.0081
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0056 0.0393 0.1495
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0056 0.0393 0.1495
Echinococcus granulosus peptide allatostatin:somatostatin 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Echinococcus granulosus orexin receptor type 2 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Echinococcus multilocularis orexin receptor type 2 0.0056 0.0393 0.1495
Brugia malayi G protein-coupled receptor F59B2.13 0.0056 0.0393 0.1564
Echinococcus granulosus rhodopsin orphan GPCR 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Echinococcus multilocularis rhodopsin orphan GPCR 0.0056 0.0393 0.1495
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0275 0.2743 0.2728
Echinococcus multilocularis rhodopsin orphan GPCR 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Brugia malayi Dopamine receptor 0.0056 0.0393 0.1564
Echinococcus granulosus tm gpcr rhodopsin 0.0056 0.0393 0.1495
Trypanosoma brucei unspecified product 0.0275 0.2743 0.2728
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Schistosoma mansoni growth hormone secretagogue receptor 0.0056 0.0393 0.0373
Onchocerca volvulus 0.0056 0.0393 0.1495
Echinococcus granulosus g protein coupled receptor 0.0056 0.0393 0.1495
Brugia malayi follicle stimulating hormone receptor 0.0056 0.0393 0.1564
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0056 0.0393 0.0373
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Echinococcus multilocularis neuropeptides capa receptor 0.0056 0.0393 0.1495
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0256 0.0944
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0056 0.0393 0.0373
Echinococcus granulosus alpha 1A adrenergic receptor 0.0056 0.0393 0.1495
Echinococcus granulosus tm gpcr rhodopsin 0.0056 0.0393 0.1495
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0256 0.0236
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0435 0.1734
Echinococcus granulosus neuropeptides capa receptor 0.0056 0.0393 0.1495
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0382 0.0363
Schistosoma mansoni neuropeptide F-like receptor 0.0056 0.0393 0.0373
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0056 0.0393 0.0373
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0056 0.0393 0.1495
Trypanosoma brucei RNA helicase, putative 0.0951 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0231 0.0942
Schistosoma mansoni opsin-like receptor 0.0056 0.0393 0.0373
Brugia malayi Pao retrotransposon peptidase family protein 0.0022 0.002 0.0081
Echinococcus multilocularis rhodopsin orphan GPCR 0.0056 0.0393 0.1495
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Schistosoma mansoni hypothetical protein 0.0056 0.0393 0.0373
Brugia malayi hypothetical protein 0.0056 0.0393 0.1564
Loa Loa (eye worm) hypothetical protein 0.0056 0.0393 0.2268
Echinococcus granulosus neuropeptide s receptor 0.0056 0.0393 0.1495
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0382 0.1453
Brugia malayi ORL1-like opioid receptor 0.0056 0.0393 0.1564
Echinococcus multilocularis rhodopsin orphan GPCR 0.0056 0.0393 0.1495
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0256 0.0944
Echinococcus granulosus rhodopsin orphan GPCR 0.0056 0.0393 0.1495
Schistosoma mansoni amine GPCR 0.0056 0.0393 0.0373
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0056 0.0393 0.0373
Echinococcus multilocularis ribonuclease H1 0.0254 0.2512 1
Echinococcus multilocularis g protein coupled receptor 0.0056 0.0393 0.1495
Brugia malayi Serotonin receptor 0.0056 0.0393 0.1564
Loa Loa (eye worm) G-protein coupled receptor 0.0056 0.0393 0.2268
Onchocerca volvulus 0.0056 0.0393 0.1495
Onchocerca volvulus 0.0056 0.0393 0.1495
Entamoeba histolytica hypothetical protein 0.0043 0.0256 0.5
Onchocerca volvulus 0.0056 0.0393 0.1495
Echinococcus multilocularis neuropeptide s receptor 0.0056 0.0393 0.1495

Activities

Activity type Activity value Assay description Source Reference
Binding (binding) = 96 % Percentage by which binding is reduced at 25 microM in rat brain microtubule protein ChEMBL. 6620299
Binding (binding) = 96 % Percentage by which binding is reduced at 25 microM in rat brain microtubule protein ChEMBL. 6620299
GI50 (functional) -7.664 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.616 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.615 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.582 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.193 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.092 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.953 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.443 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.128 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.598 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.163 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.8 uM kg-1 Potency against lymphocytic leukemia P388 screen in mice. ChEMBL. 6620299
Potency (functional) = 3.8 uM kg-1 Potency against lymphocytic leukemia P388 screen in mice. ChEMBL. 6620299
Toxicity (ADMET) = 23.5 uM kg-1 Toxicity in the P388 NCI screen defined as the dose that caused an average wt. loss>3g in at least one out of set of mice or the death of one or more of mice ChEMBL. 6620299
Toxicity (ADMET) = 23.5 uM kg-1 Toxicity in the P388 NCI screen defined as the dose that caused an average wt. loss>3g in at least one out of set of mice or the death of one or more of mice ChEMBL. 6620299
Toxicity (ADMET) = 32.5 uM kg-1 Toxicity found after a single intramuscular injection in mice ChEMBL. 6620299
Toxicity (ADMET) = 32.5 uM kg-1 Toxicity found after a single intramuscular injection in mice ChEMBL. 6620299

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.