Detailed information for compound 1223855

Basic information

Technical information
  • TDR Targets ID: 1223855
  • Name: 4-[hydroxy-di(phenyl)methyl]-N-(4-methoxyphen yl)piperidine-1-carbothioamide
  • MW: 432.578 | Formula: C26H28N2O2S
  • H donors: 2 H acceptors: 1 LogP: 4.75 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=S)N1CCC(CC1)C(c1ccccc1)(c1ccccc1)O
  • InChi: 1S/C26H28N2O2S/c1-30-24-14-12-23(13-15-24)27-25(31)28-18-16-22(17-19-28)26(29,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22,29H,16-19H2,1H3,(H,27,31)
  • InChiKey: VIPUANDTXVAADT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[hydroxy-di(phenyl)methyl]-N-(4-methoxyphenyl)-1-piperidinecarbothioamide
  • STK055677
  • Oprea1_306068
  • BAS 01915519
  • 4-(Hydroxy-diphenyl-methyl)-piperidine-1-carbothioic acid (4-methoxy-phenyl)-amide
  • MLS000552281
  • SMR000177226

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens neuropeptide Y receptor Y2 Starlite/ChEMBL References
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni neuropeptide receptor Get druggable targets OG5_127863 All targets in OG5_127863
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Get druggable targets OG5_127863 All targets in OG5_127863
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis G protein coupled receptor 139 Get druggable targets OG5_127863 All targets in OG5_127863
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus neuropeptide receptor Get druggable targets OG5_127863 All targets in OG5_127863
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis neuropeptide receptor Get druggable targets OG5_127863 All targets in OG5_127863
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Echinococcus granulosus pyroglutamylated rfamide peptide receptor neuropeptide Y receptor Y2 381 aa 388 aa 20.4 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus bloom syndrome protein 0.0026 0.108 0.1063
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.001 0.0218 0.0146
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3711 0.3889
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3711 0.3889
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.26 0.2545
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0218 0.0153
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0534 0.0486
Onchocerca volvulus 0.001 0.0218 0.0146
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0011 0.0277 0.0215
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0708 0.067
Echinococcus granulosus GPCR family 2 0.0019 0.0708 0.067
Entamoeba histolytica hypothetical protein 0.0007 0.0073 0.1651
Schistosoma mansoni blooms syndrome DNA helicase 0.0021 0.0792 0.083
Echinococcus multilocularis lamin 0.0033 0.1415 0.1417
Echinococcus multilocularis lamin dm0 0.0033 0.1415 0.1417
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.001 0.0218 0.0229
Trichomonas vaginalis DNA helicase recq, putative 0.0014 0.0443 0.3673
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0218 0.0153
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.0914 1
Echinococcus granulosus neuropeptide receptor 0.0188 0.9544 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.26 0.2668
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0073 0.1651
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0073 0.1651
Brugia malayi intermediate filament protein 0.0033 0.1415 0.1351
Echinococcus multilocularis G protein coupled receptor 139 0.0188 0.9544 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.26 0.2668
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0708 0.067
Loa Loa (eye worm) hypothetical protein 0.0032 0.1384 0.132
Schistosoma mansoni DNA helicase recq1 0.0011 0.0277 0.029
Echinococcus multilocularis musashi 0.0033 0.1415 0.1417
Echinococcus granulosus tar DNA binding protein 0.0076 0.3711 0.3842
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0534 0.0486
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0708 0.067
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1415 0.1351
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0007 0.0073 0.0077
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0073 0.1651
Schistosoma mansoni lamin 0.0033 0.1415 0.1482
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0073 0.1651
Loa Loa (eye worm) hypothetical protein 0.006 0.2859 0.2807
Loa Loa (eye worm) hypothetical protein 0.0197 1 1
Schistosoma mansoni z-protein (S1r protein) 0.001 0.0218 0.0229
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0073 0.1651
Schistosoma mansoni neuropeptide receptor 0.0188 0.9544 1
Echinococcus multilocularis bloom syndrome protein 0.0026 0.108 0.1063
Schistosoma mansoni DNA helicase recq5 0.0011 0.0277 0.029
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1864 0.1804
Loa Loa (eye worm) hypothetical protein 0.0011 0.0277 0.0205
Echinococcus multilocularis GPCR, family 2 0.0019 0.0708 0.067
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0073 0.0077
Onchocerca volvulus 0.0033 0.1415 0.1351
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3711 0.3842
Brugia malayi DIX domain containing protein 0.001 0.0218 0.0146
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0277 0.4422
Schistosoma mansoni dishevelled 0.001 0.0218 0.0229
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0218 0.0153
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3711 0.3665
Schistosoma mansoni lamin 0.0033 0.1415 0.1482
Giardia lamblia Sgs1 DNA helicase, putative 0.0011 0.0277 0.5
Echinococcus granulosus lamin dm0 0.0033 0.1415 0.1417
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1415 0.1351
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0708 0.064
Schistosoma mansoni dishevelled 0.001 0.0218 0.0229
Loa Loa (eye worm) hypothetical protein 0.0033 0.1415 0.1351
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0218 0.0153
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.26 0.2724
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2859 0.2807
Echinococcus multilocularis neuropeptide receptor 0.0188 0.9544 1
Schistosoma mansoni regulator of G protein signaling 0.001 0.0218 0.0229
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3711 0.3665
Brugia malayi RNA binding protein 0.0076 0.3711 0.3665
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3711 0.3889
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0708 0.064
Loa Loa (eye worm) RNA binding protein 0.0076 0.3711 0.3665
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0708 0.067
Schistosoma mansoni hypothetical protein 0.0019 0.0708 0.0742
Brugia malayi hypothetical protein 0.001 0.0218 0.0146
Loa Loa (eye worm) hypothetical protein 0.0015 0.0503 0.0433
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0011 0.0277 0.0215
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0073 0.1651
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2859 0.2807
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3711 0.3889
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0443 1
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0007 0.0055 0.0058
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.26 0.2545
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0443 0.5
Schistosoma mansoni dep domain containing protein 0.001 0.0218 0.0229
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0073 0.1651
Loa Loa (eye worm) hypothetical protein 0.0016 0.0534 0.0464
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0073 0.1651
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0073 0.1651
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.26 0.2724
Loa Loa (eye worm) hypothetical protein 0.0132 0.6598 0.6573
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0277 0.0205
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0624 0.0555
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0443 0.5
Loa Loa (eye worm) DIX domain-containing protein 0.001 0.0218 0.0146
Brugia malayi hypothetical protein 0.001 0.0218 0.0146
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0277 0.0205
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.001 0.0218 0.0153
Loa Loa (eye worm) hypothetical protein 0.0041 0.1864 0.1804
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0073 0.0077
Entamoeba histolytica recQ family helicase, putative 0.0014 0.0443 1
Echinococcus granulosus intermediate filament protein 0.0033 0.1415 0.1417
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.26 0.2668
Schistosoma mansoni hypothetical protein 0.0019 0.0708 0.0742
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3711 0.3665
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0197 1 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0218 0.0146
Toxoplasma gondii hypothetical protein 0.001 0.0218 0.3489
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1415 0.1351
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0218 0.0153
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0624 0.0555
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.108 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0011 0.0277 0.0215
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0218 0.0146
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0626 1
Brugia malayi TAR-binding protein 0.0076 0.3711 0.3665
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0708 0.064
Loa Loa (eye worm) hypothetical protein 0.0015 0.0503 0.0433
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0018 0.0637 0.5
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0011 0.0277 0.0205
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.108 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0218 0.0146
Loa Loa (eye worm) hypothetical protein 0.0019 0.0708 0.064
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0218 0.0153
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0218 0.0153
Schistosoma mansoni hypothetical protein 0.0041 0.1864 0.1953
Loa Loa (eye worm) hypothetical protein 0.001 0.0218 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0073 0.1651
Schistosoma mansoni hypothetical protein 0.0019 0.0708 0.0742
Brugia malayi regulator of G-protein signaling egl-10 0.001 0.0218 0.0146
Echinococcus granulosus lamin 0.0033 0.1415 0.1417
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.26 0.2724
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0073 0.1651
Schistosoma mansoni hypothetical protein 0.0019 0.0708 0.0742
Onchocerca volvulus 0.0033 0.1415 0.1351
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.001 0.0218 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0073 0.1651
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3711 0.3889
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0011 0.0277 0.0215
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.108 0.1014
Echinococcus granulosus Pleckstrin G protein interacting region 0.001 0.0218 0.0153
Schistosoma mansoni intermediate filament proteins 0.0033 0.1415 0.1482
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0277 0.4422
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2859 0.2807
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0007 0.0073 0.1651
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0218 0.0153
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0073 0.0077
Loa Loa (eye worm) hypothetical protein 0.001 0.0218 0.0146
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.26 0.2668
Loa Loa (eye worm) RecQ helicase 0.0026 0.108 0.1014
Schistosoma mansoni ras GTP exchange factor 0.0007 0.0073 0.0077

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antagonist activity at neuropeptide Y receptor Y1 at 10 uM ChEMBL. 22607676
IC50 (functional) = 1.1 uM Antagonist activity at neuropeptide Y receptor Y2 ChEMBL. 22607676
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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