Detailed information for compound 922116

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 429.576 | Formula: C23H31N3O3S
  • H donors: 0 H acceptors: 3 LogP: 2.69 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(N(S(=O)(=O)Cc1ccccc1)Cc1ccc(cc1)N1CCN(CC1)C(=O)C)C
  • InChi: 1S/C23H31N3O3S/c1-19(2)26(30(28,29)18-22-7-5-4-6-8-22)17-21-9-11-23(12-10-21)25-15-13-24(14-16-25)20(3)27/h4-12,19H,13-18H2,1-3H3
  • InChiKey: QBHMBDZJVDBYGI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear receptor subfamily 1, group H, member 4 Starlite/ChEMBL References
Homo sapiens nuclear receptor subfamily 1, group I, member 2 Starlite/ChEMBL References
Homo sapiens RAR-related orphan receptor B Starlite/ChEMBL References
Homo sapiens nuclear receptor subfamily 1, group H, member 3 Starlite/ChEMBL References
Homo sapiens nuclear receptor subfamily 1, group H, member 2 Starlite/ChEMBL References
Homo sapiens RAR-related orphan receptor C Starlite/ChEMBL References
Homo sapiens RAR-related orphan receptor A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) steroid hormone receptor Get druggable targets OG5_134341 All targets in OG5_134341
Brugia malayi steroid hormone receptor Get druggable targets OG5_134341 All targets in OG5_134341
Brugia malayi ecdysteroid receptor Get druggable targets OG5_134445 All targets in OG5_134445
Echinococcus granulosus thyroid hormone receptor alpha Get druggable targets OG5_134341 All targets in OG5_134341
Onchocerca volvulus Bile acid receptor homolog Get druggable targets OG5_134445 All targets in OG5_134445
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_134445 All targets in OG5_134445
Schistosoma japonicum Ecdysone-induced protein 78C, putative Get druggable targets OG5_134341 All targets in OG5_134341
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus FTZ F1 nuclear receptor protein RAR-related orphan receptor B 459 aa 403 aa 24.6 %
Brugia malayi photoreceptor-specific nuclear receptor nuclear receptor subfamily 1, group H, member 3 387 aa 321 aa 28.0 %
Echinococcus granulosus ecdysone induced protein 78C nuclear receptor subfamily 1, group H, member 4 476 aa 402 aa 28.1 %
Brugia malayi ecdysteroid receptor nuclear receptor subfamily 1, group I, member 2 434 aa 427 aa 25.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.002 0.0207 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.002 0.0207 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0083 0.2638 0.3526
Brugia malayi nuclear receptor NHR-88 0.0035 0.0774 0.071
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0083 0.2638 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0772 0.2869
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.002 0.0207 0.5
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.002 0.0207 0.5
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0035 0.0774 0.233
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0086 0.0088
Brugia malayi Nuclear hormone receptor-like 1 0.0083 0.2638 0.2633
Loa Loa (eye worm) hypothetical protein 0.0083 0.2638 0.2698
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0083 0.2638 0.2633
Loa Loa (eye worm) hypothetical protein 0.0083 0.2638 0.2698
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.002 0.0207 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0083 0.2638 0.2132
Echinococcus granulosus lamin dm0 0.0031 0.0644 0.0838
Echinococcus granulosus thyroid hormone receptor alpha 0.0207 0.7442 1
Onchocerca volvulus 0.0083 0.2638 0.2132
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0059 0.1713 1
Onchocerca volvulus 0.0035 0.0774 0.0139
Loa Loa (eye worm) hypothetical protein 0.0083 0.2638 0.2698
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0048 0.1306 0.4909
Loa Loa (eye worm) hypothetical protein 0.0035 0.0774 0.0791
Loa Loa (eye worm) CYP4Cod1 0.003 0.0598 0.0611
Schistosoma mansoni steroid hormone receptor ad4bp 0.0083 0.2638 1
Brugia malayi ecdysone receptor 0.0035 0.0774 0.071
Echinococcus multilocularis FTZ F1 alpha 0.0083 0.2638 1
Mycobacterium leprae Conserved hypothetical protein 0.002 0.0207 0.5
Brugia malayi ecdysteroid receptor 0.0268 0.9778 1
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.002 0.0207 0.5
Schistosoma mansoni nuclear receptor nhr-48 0.0035 0.0774 0.233
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.002 0.0207 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0083 0.2638 0.2698
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0059 0.1713 1
Schistosoma mansoni nuclear receptor 0.0035 0.0774 0.233
Brugia malayi nuclear hormone receptor 0.0083 0.2638 0.2633
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0241 0.8718 0.8916
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0083 0.2638 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.002 0.0207 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.0774 0.1013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0083 0.2638 0.2698
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0059 0.1713 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0059 0.1713 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0083 0.2638 0.2633
Schistosoma mansoni nuclear hormone receptor 0.0035 0.0774 0.233
Schistosoma mansoni retinoic acid receptor RXR 0.0083 0.2638 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.002 0.0207 0.5
Brugia malayi tailless protein 0.0035 0.0774 0.071
Echinococcus multilocularis musashi 0.0031 0.0644 0.2377
Brugia malayi Nuclear hormone receptor-like 1 0.0048 0.1306 0.1259
Schistosoma mansoni lamin 0.0031 0.0644 0.1796
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0083 0.2638 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.0774 0.2873
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0035 0.0774 0.0139
Schistosoma mansoni nuclear hormone receptor 0.0035 0.0774 0.233
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0083 0.2638 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0035 0.0774 0.1013
Trypanosoma brucei protein kinase, putative 0.0059 0.1713 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0772 0.1011
Loa Loa (eye worm) hypothetical protein 0.0035 0.0774 0.0791
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0048 0.1306 0.4521
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.002 0.0207 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0772 0.3753
Loa Loa (eye worm) hypothetical protein 0.0035 0.0774 0.0791
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.002 0.0207 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0048 0.1306 0.4521
Echinococcus multilocularis mitogen activated protein kinase 3 0.0059 0.1713 0.6464
Brugia malayi Pre-SET motif family protein 0.0035 0.0772 0.0708
Echinococcus multilocularis mitogen activated protein kinase 0.0059 0.1713 0.6464
Loa Loa (eye worm) hypothetical protein 0.0048 0.1306 0.1336
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0083 0.2638 0.3526
Brugia malayi Cytochrome P450 family protein 0.003 0.0598 0.0528
Brugia malayi Nuclear hormone receptor E75 0.0035 0.0774 0.071
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0083 0.2638 0.2633
Echinococcus multilocularis nuclear receptor nhr 48 0.0035 0.0774 0.2873
Brugia malayi hypothetical protein 0.0035 0.0774 0.071
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0083 0.2638 0.3526
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0059 0.1713 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1306 0.1336
Mycobacterium leprae putative cytochrome p450 0.002 0.0207 0.5
Loa Loa (eye worm) hypothetical protein 0.0083 0.2638 0.2698
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0083 0.2638 0.2698
Loa Loa (eye worm) hypothetical protein 0.0268 0.9778 1
Schistosoma mansoni nuclear hormone receptor 0.0083 0.2638 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.002 0.0207 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.0059 0.1713 0.2279
Schistosoma mansoni hypothetical protein 0.006 0.1747 0.6334
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0059 0.1713 0.1752
Brugia malayi Nuclear hormone receptor-like 1 0.0048 0.1306 0.1259
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0083 0.2638 1
Echinococcus multilocularis 0.002 0.0207 0.0709
Schistosoma mansoni thyroid hormone receptor 0.0083 0.2638 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1306 0.1336
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0083 0.2638 0.2633
Brugia malayi Cytochrome P450 family protein 0.002 0.0207 0.0125
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0083 0.2638 1
Echinococcus multilocularis lamin dm0 0.0031 0.0644 0.2377
Loa Loa (eye worm) hypothetical protein 0.0031 0.0622 0.0636
Brugia malayi hypothetical protein 0.0035 0.0774 0.071
Brugia malayi Pre-SET motif family protein 0.0241 0.8718 0.8906
Giardia lamblia Kinase, CMGC MAPK 0.0059 0.1713 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0083 0.2638 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0774 0.0791
Brugia malayi nuclear hormone receptor family member odr-7 0.0035 0.0774 0.071
Brugia malayi nuclear receptor NHR-67 0.0035 0.0774 0.071
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.002 0.0207 0.5
Schistosoma mansoni thyroid hormone receptor 0.0083 0.2638 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0774 0.0791
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0083 0.2638 1
Brugia malayi MAP kinase sur-1 0.0059 0.1713 0.1679
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0059 0.1713 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0083 0.2638 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0083 0.2638 0.2633
Loa Loa (eye worm) hypothetical protein 0.0035 0.0774 0.0791
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0035 0.0774 0.2873
Plasmodium vivax SET domain protein, putative 0.0035 0.0772 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0035 0.0774 0.2873
Schistosoma mansoni coup transcription factor 0.0083 0.2638 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.2638 0.2698
Loa Loa (eye worm) nuclear hormone receptor 0.0035 0.0774 0.0791
Brugia malayi nuclear hormone receptor 0.0035 0.0774 0.071
Echinococcus granulosus ecdysone induced protein 78C 0.0083 0.2638 0.3526
Trypanosoma brucei cytochrome P450, putative 0.003 0.0598 0.2594
Brugia malayi Steroid receptor seven-up type 2 0.0083 0.2638 0.2633
Brugia malayi steroid hormone receptor 0.0256 0.9307 0.9513
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0083 0.2638 0.3526
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.002 0.0207 0.5
Onchocerca volvulus 0.0035 0.0772 0.0137
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0207 0.0212
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.1713 0.6194
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.002 0.0207 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0083 0.2638 0.2633
Brugia malayi hypothetical protein 0.0048 0.1306 0.1259
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0048 0.1306 0.1336
Echinococcus granulosus Nuclear hormone receptor HR96 0.0035 0.0774 0.1013
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0724 0.0945
Brugia malayi conserved hypotetical protein 0.0035 0.0774 0.071
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0083 0.2638 0.2633
Loa Loa (eye worm) hypothetical protein 0.0035 0.0774 0.0791
Onchocerca volvulus Bile acid receptor homolog 0.0268 0.9778 0.9763
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0035 0.0774 0.233
Onchocerca volvulus Protein ultraspiracle homolog 0.0083 0.2638 0.2132
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0644 0.0659
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0083 0.2638 0.3526
Loa Loa (eye worm) hypothetical protein 0.0031 0.0644 0.0659
Echinococcus granulosus nuclear receptor nhr 48 0.0035 0.0774 0.1013
Schistosoma mansoni lamin 0.0031 0.0644 0.1796
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0035 0.0774 0.1013
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0083 0.2638 1
Brugia malayi orphan nuclear receptor NR2E1 0.0035 0.0774 0.071
Loa Loa (eye worm) hypothetical protein 0.0083 0.2638 0.2698
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0644 0.0659
Brugia malayi Nuclear hormone receptor E75 0.0035 0.0774 0.071
Brugia malayi Cytochrome P450 family protein 0.003 0.0598 0.0528
Loa Loa (eye worm) steroid hormone receptor 0.0256 0.9307 0.9518
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0083 0.2638 0.2633
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0059 0.1713 1
Brugia malayi Cytochrome P450 family protein 0.002 0.0207 0.0125
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0598 0.0611
Brugia malayi nuclear receptor NHR-88 0.0083 0.2638 0.2633
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.002 0.0207 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0083 0.2638 1
Echinococcus granulosus cytochrome P450 2K1 0.002 0.0207 0.025
Brugia malayi nuclear hormone receptor family member nhr-6 0.0035 0.0774 0.071
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0083 0.2638 0.2633
Leishmania major cytochrome p450-like protein 0.003 0.0598 0.2594
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0083 0.2638 0.2698
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0083 0.2638 1
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0598 0.0611
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0035 0.0774 0.071
Brugia malayi hypothetical protein 0.0048 0.1306 0.1259
Loa Loa (eye worm) hypothetical protein 0.0083 0.2638 0.2698
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0083 0.2638 0.2633
Schistosoma mansoni intermediate filament proteins 0.0031 0.0644 0.1796
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0772 0.2325
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0772 0.2325
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0644 0.0576
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0083 0.2638 0.3526
Loa Loa (eye worm) nuclear receptor NHR-67 0.0035 0.0774 0.0791
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0059 0.1713 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1306 0.1336
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0772 0.2325
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.002 0.0207 0.5
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0048 0.1306 0.1731
Brugia malayi cytochrome P450 0.002 0.0207 0.0125
Loa Loa (eye worm) hypothetical protein 0.0035 0.0774 0.0791
Echinococcus granulosus lamin 0.0031 0.0644 0.0838
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0083 0.2638 0.2698
Loa Loa (eye worm) hypothetical protein 0.0035 0.0774 0.0791
Brugia malayi nuclear receptor RXR 0.0035 0.0774 0.071
Echinococcus granulosus FTZ F1 alpha 0.0083 0.2638 0.3526
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0083 0.2638 0.2633
Trypanosoma cruzi cytochrome P450, putative 0.003 0.0598 0.2594
Trichomonas vaginalis set domain proteins, putative 0.0274 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0772 0.2869
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0035 0.0774 0.2873
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.003 0.0598 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0083 0.2638 0.2698
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.002 0.0207 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0083 0.2638 0.2698
Echinococcus multilocularis lamin 0.0031 0.0644 0.2377
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.002 0.0207 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0083 0.2638 1
Brugia malayi nuclear receptor RXR 0.0048 0.1306 0.1259
Loa Loa (eye worm) hypothetical protein 0.0035 0.0772 0.079
Onchocerca volvulus 0.0035 0.0774 0.0139
Loa Loa (eye worm) hypothetical protein 0.0035 0.0774 0.0791
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0035 0.0774 0.2873
Loa Loa (eye worm) hypothetical protein 0.0035 0.0774 0.0791
Schistosoma mansoni nuclear receptor 0.0035 0.0774 0.233
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0083 0.2638 0.3526
Echinococcus granulosus mitogen activated protein kinase 0.0059 0.1713 0.2279
Echinococcus multilocularis ecdysone induced protein 78C 0.0083 0.2638 1
Loa Loa (eye worm) cytochrome P450 0.002 0.0207 0.0212
Brugia malayi intermediate filament protein 0.0031 0.0644 0.0576
Loa Loa (eye worm) hypothetical protein 0.0048 0.1306 0.1336
Echinococcus granulosus intermediate filament protein 0.0031 0.0644 0.0838
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0083 0.2638 0.2633
Loa Loa (eye worm) hypothetical protein 0.0035 0.0774 0.0791
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0035 0.0774 0.0791
Loa Loa (eye worm) hypothetical protein 0.0035 0.0774 0.0791
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0083 0.2638 0.2633
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.002 0.0207 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0083 0.2638 0.2633
Echinococcus multilocularis thyroid hormone receptor alpha 0.0083 0.2638 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0035 0.0774 0.0139
Loa Loa (eye worm) hypothetical protein 0.0015 0.0022 0.0022
Trypanosoma cruzi cytochrome P450, putative 0.003 0.0598 0.2594
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0772 0.2325
Loa Loa (eye worm) DR-78 0.0035 0.0774 0.0791
Schistosoma mansoni zinc finger protein 0.0035 0.0774 0.233

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 0.037 uM Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed as inhibition of SRC1 co-activator peptide recruitment after 3 hrs by TR-FRET analysis ChEMBL. 25017032
EC50 (binding) = 0.41 uM Agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay ChEMBL. 25017032
EC50 (binding) = 1.2 uM Agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay ChEMBL. 25017032
EC50 (binding) > 10 uM Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay ChEMBL. 25017032
EC50 (binding) > 10 uM Agonist activity at GAL4-fused human FXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay ChEMBL. 25017032
EC50 (binding) > 10 uM Agonist activity at GAL4-fused human LXRalpha expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay ChEMBL. 25017032
EC50 (binding) > 10 uM Agonist activity at GAL4-fused human LXRbeta expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay ChEMBL. 25017032
EC50 (binding) > 10 uM Agonist activity at GAL4-fused human PXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay ChEMBL. 25017032
Efficacy (binding) = 98 % Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed as inhibition of SRC1 co-activator peptide recruitment after 3 hrs by TR-FRET analysis relative to apo-RORc ligand binding domain ChEMBL. 25017032
IC50 (binding) = 95 nM In Vitro Assay BINDINGDB. No reference

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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