Detailed information for compound 1485778

Basic information

Technical information
  • TDR Targets ID: 1485778
  • Name: 191023-24-2
  • MW: 456.442 | Formula: C24H24O9
  • H donors: 0 H acceptors: 1 LogP: 3.48 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)C1C2=C(COC2=O)OC(Oc2c1cc1OCOc1c2)(C)C
  • InChi: 1S/C24H24O9/c1-24(2)32-14-9-16-15(30-11-31-16)8-13(14)20(21-19(33-24)10-29-23(21)25)12-6-17(26-3)22(28-5)18(7-12)27-4/h6-9,20H,10-11H2,1-5H3
  • InChiKey: UOVKZFDKJDTNPN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5,5-Dimethyl-12-(3,4,5-trimethoxyphenyl)-3,12-dihydro-1H-[1,3]dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-one
  • AIDS-143829
  • AIDS143829
  • NSC665485
  • 5,5-Dimethyl-12-(3,4,5-trimethoxyphenyl)-3,12-dihydro-1H-(1,3)dioxolo(4,5-i)furo(3,4-d)(1,3)benzodioxocin-1-one
  • NSC 665485
  • 1H-[1,3]Dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-one, 3,12-dihydro-5,5-dimethyl- 12-(3,4,5-trimethoxyphenyl)-
  • NCI60_022583

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens paired box 8 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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 isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Pax transcription factor protein 2 Get druggable targets OG5_139945 All targets in OG5_139945
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Get druggable targets OG5_139945 All targets in OG5_139945
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) pax transcription factor protein 2 Get druggable targets OG5_139945 All targets in OG5_139945
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
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
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
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
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0025 0.0163 0.0163
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1046 0.1949
Mycobacterium tuberculosis Possible oxidoreductase 0.0025 0.0163 0.0163
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0025 0.0163 0.0163
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.2932 0.3731
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1046 0.1332
Loa Loa (eye worm) hypothetical protein 0.0025 0.0163 0.0207
Mycobacterium tuberculosis Probable oxidoreductase 0.0025 0.0163 0.0163
Loa Loa (eye worm) oxidoreductase 0.0025 0.0163 0.0207
Onchocerca volvulus 0.0182 0.4728 0.5933
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0365 1 1
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0025 0.0163 0.0303
Brugia malayi Latrophilin receptor protein 2 0.0038 0.055 0.07
Trichomonas vaginalis hypothetical protein 0.0365 1 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.055 0.1025
Brugia malayi Pax transcription factor protein 2 0.0291 0.7857 1
Brugia malayi hypothetical protein 0.0182 0.4728 0.6017
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0705 0.1313
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0329 1
Leishmania major hypothetical protein, conserved 0.003 0.0329 1
Brugia malayi hypothetical protein 0.003 0.0329 0.0418
Onchocerca volvulus 0.0291 0.7857 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0025 0.0163 0.0207
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1046 0.1949
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0025 0.0163 0.4947
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1046 0.1949
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.055 0.07
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0329 1
Schistosoma mansoni hypothetical protein 0.0038 0.055 0.1025
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0329 0.0329
Loa Loa (eye worm) hypothetical protein 0.0038 0.055 0.07
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0025 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.012 0.2932 0.3731
Schistosoma mansoni hypothetical protein 0.0205 0.5369 1
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0025 0.0163 0.0163
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0329 0.0329
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0025 0.0163 0.4947
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.055 0.1025
Brugia malayi hypothetical protein 0.0043 0.0705 0.0897
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0365 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.0705 1
Schistosoma mansoni hypothetical protein 0.0038 0.055 0.1025
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0025 0.0163 0.0163
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0329 0.0329
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0025 0.0163 0.0163
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0025 0.0163 0.4947
Schistosoma mansoni hypothetical protein 0.0082 0.1829 0.3408
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0025 0.0163 0.0207
Echinococcus granulosus geminin 0.0205 0.5369 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0025 0.0163 0.4947
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1046 0.1949
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.055 0.1025
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0025 0.0163 0.0163
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.055 0.07
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1046 0.1332
Schistosoma mansoni hypothetical protein 0.0038 0.055 0.1025
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0025 0.0163 0.4947
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0365 1 1
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0025 0.0163 0.0163
Trypanosoma brucei oxidoreductase-like protein 0.0025 0.0163 0.4947
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0365 1 1
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0365 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0705 0.1313
Entamoeba histolytica hypothetical protein 0.0043 0.0705 1
Echinococcus multilocularis GPCR, family 2 0.0038 0.055 0.1025
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3619 0.4606
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0025 0.0163 0.0163
Schistosoma mansoni hypothetical protein 0.0043 0.0705 0.1313
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0025 0.0163 0.4947
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0705 0.1313
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0025 0.0163 0.0163
Loa Loa (eye worm) pax transcription factor protein 2 0.0291 0.7857 1
Echinococcus multilocularis geminin 0.0205 0.5369 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0025 0.0163 0.0207
Loa Loa (eye worm) hypothetical protein 0.003 0.0329 0.0418
Entamoeba histolytica hypothetical protein 0.0043 0.0705 1
Schistosoma mansoni hypothetical protein 0.0205 0.5369 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1046 0.1949
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.2932 0.3731
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1046 0.1949
Loa Loa (eye worm) hypothetical protein 0.0182 0.4728 0.6017
Schistosoma mansoni hypothetical protein 0.0038 0.055 0.1025
Brugia malayi MH2 domain containing protein 0.0144 0.3619 0.4606
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0025 0.0163 0.4947
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0025 0.0163 0.0163
Echinococcus granulosus GPCR family 2 0.0038 0.055 0.1025
Trypanosoma brucei pteridine reductase 1 0.0025 0.0163 0.4947
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3619 0.4606
Leishmania major oxidoreductase-like protein 0.0025 0.0163 0.4947
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.1829 0.2328
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0025 0.0163 0.0303
Leishmania major pteridine reductase 1 0.0025 0.0163 0.4947
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0329 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.1829 0.2328
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0025 0.0163 0.0303
Brugia malayi hypothetical protein 0.002 0.0017 0.0021
Mycobacterium tuberculosis Possible oxidoreductase 0.0025 0.0163 0.0163
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0329 0.0329
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0365 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1046 0.1949
Loa Loa (eye worm) retinol dehydrogenase 12 0.0025 0.0163 0.0207
Schistosoma mansoni dihydropteridine reductase 0.0025 0.0163 0.0303
Plasmodium falciparum enoyl-acyl carrier reductase 0.0365 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.0705 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.2932 0.3731
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.055 0.1025

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 1.78 uM PubChem BioAssay. HTS for PAX8 inhibitors using PAX8 luciferase reporter gene assay in RMG-I cells Measured in Cell-Based System Using Plate Reader - 7054-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.674 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) -6.673 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) -6.628 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) -6.469 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) -6.459 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) -6.416 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) -6.371 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
GI50 (functional) -6.332 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) -6.166 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) -5.446 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) -4.423 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
Potency (functional) 0.5623 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.631 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7943 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) 1.1582 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.1582 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4581 uM PubChem BioAssay. qHTS for Inhibitors of TGF-b: Confirmation of Cherry Picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.5849 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 2.0596 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 2.0596 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.6679 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 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) 17.7828 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. qHTS for Inhibitors of TGF-b: CCL64 Cells Orthogonal Assay for Cherry Picks. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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

No literature references available for this target.

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