Detailed information for compound 1624955

Basic information

Technical information
  • TDR Targets ID: 1624955
  • Name: 4-[(2-bromophenoxy)methyl]-N-[(3-hydroxypheny l)methylideneamino]benzamide
  • MW: 425.275 | Formula: C21H17BrN2O3
  • H donors: 2 H acceptors: 2 LogP: 4.63 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cccc(c1)/C=N/NC(=O)c1ccc(cc1)COc1ccccc1Br
  • InChi: 1S/C21H17BrN2O3/c22-19-6-1-2-7-20(19)27-14-15-8-10-17(11-9-15)21(26)24-23-13-16-4-3-5-18(25)12-16/h1-13,25H,14H2,(H,24,26)/b23-13+
  • InChiKey: CKBGUYMYIDOOJO-YDZHTSKRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(2-bromophenoxy)methyl]-N-[(3-hydroxyphenyl)methyleneamino]benzamide
  • 4-[(2-bromophenoxy)methyl]-N-[(3-hydroxybenzylidene)amino]benzamide
  • AK-968/40642644
  • IVK/9143156
  • 4-[(2-bromophenoxy)methyl]-N'-(3-hydroxybenzylidene)benzohydrazide
  • MLS000704276
  • SMR000231275

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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 dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
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 granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
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
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.5704 0.3805 1
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.5704 0.3805 1
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.2029 0.1349 0.2905
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.2029 0.1349 0.1041
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.003 0.003
Onchocerca volvulus 0.0058 0.0032 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.5704 0.3805 0.5922
Loa Loa (eye worm) hypothetical protein 0.0525 0.0343 0.0356
Schistosoma mansoni hypothetical protein 0.0041 0.002 0.0015
Toxoplasma gondii pyruvate carboxylase 0.5704 0.3805 0.3782
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0006 0.0006
Schistosoma mansoni carbamoyl-phosphate synthetase 0.1289 0.0854 0.0849
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.2029 0.1349 0.1344
Schistosoma mansoni aspartate carbamoyltransferase 0.1289 0.0854 0.0849
Loa Loa (eye worm) hypothetical protein 0.0525 0.0343 0.0356
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 1.0837 0.7235 1
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.2029 0.1349 0.3233
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.5704 0.3805 0.5922
Loa Loa (eye worm) carboxyl transferase domain-containing protein 1.4451 0.9649 1
Schistosoma mansoni acetyl-CoA carboxylase 1.4975 1 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.2029 0.1349 0.2905
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.2029 0.1349 0.2905
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0525 0.0343 0.0343
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.2029 0.1349 0.172
Toxoplasma gondii carbamoylphosphate synthetase 0.1289 0.0854 0.0821
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0006 0.0006
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.5704 0.3805 0.3584
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0184 0.0184
Mycobacterium ulcerans pyruvate carboxylase 0.5704 0.3805 1
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0525 0.0343 0.0308
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0525 0.0343 0.0338
Loa Loa (eye worm) hypothetical protein 0.006 0.0033 0.0034
Echinococcus granulosus cpg binding protein 0.0037 0.0017 0.0017
Treponema pallidum pyruvate carboxylase subunit B 0.0525 0.0343 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0033 0.0034
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.003 0.0031
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0525 0.0343 0.0338
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.1289 0.0854 0.0874
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0525 0.0343 0.0308
Brugia malayi CXXC zinc finger family protein 0.0035 0.0016 0.0017
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.2029 0.1349 0.2905
Entamoeba histolytica acetyl-coA carboxylase, putative 0.2554 0.1699 0.5
Echinococcus granulosus dnaJ subfamily B 0.0494 0.0323 0.0323
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0033 0.0034
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0525 0.0343 0.0356
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.2029 0.1349 0.2905
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.2029 0.1349 0.2905
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.1289 0.0854 0.0742
Leishmania major propionyl-coa carboxylase beta chain, putative 0.2029 0.1349 0.1041
Brugia malayi hypothetical protein 0.0286 0.0184 0.019
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0525 0.0343 0.0343
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0525 0.0343 0.0356
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.2029 0.1349 0.172
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.1289 0.0854 0.1476
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0184 0.0184
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0525 0.0343 0.0338
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 1.0837 0.7235 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 1.4975 1 1
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.2029 0.1349 0.1041
Schistosoma mansoni cpg binding protein 0.0037 0.0017 0.0012
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.5704 0.3805 0.3805
Schistosoma mansoni hypothetical protein 0.0494 0.0323 0.0318
Brugia malayi Carboxyl transferase domain containing protein 1.4451 0.9649 1
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.2029 0.1349 0.172
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.003 0.003
Toxoplasma gondii acetyl-coA carboxylase ACC2 1.4975 1 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.5704 0.3805 1
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.2029 0.1349 0.2905
Schistosoma mansoni cpg binding protein 0.0035 0.0016 0.001
Trypanosoma brucei unspecified product 0.375 0.2499 0.2232
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.2029 0.1349 0.1349
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.5704 0.3805 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0525 0.0343 0.0308
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0525 0.0343 0.0308
Schistosoma mansoni carbamoyl-phosphate synthetase 0.1289 0.0854 0.0849
Echinococcus granulosus Biotin lipoyl attachment 0.0525 0.0343 0.0343
Plasmodium falciparum carbamoyl phosphate synthetase 0.1289 0.0854 0.0742
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0016 0.0017
Echinococcus granulosus GPCR family 2 0.0019 0.0006 0.0006
Echinococcus multilocularis GPCR, family 2 0.0019 0.0006 0.0006
Echinococcus multilocularis cpg binding protein 0.0037 0.0017 0.0017
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.5704 0.3805 0.3584
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.2029 0.1349 0.2905
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.5704 0.3805 0.3584
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0033 0.0034
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.0323 0.0323
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.2029 0.1349 0.2905
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.1289 0.0854 0.0529
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0006 0.0006
Trypanosoma brucei acetyl-CoA carboxylase 1.4975 1 1
Leishmania major carbamoyl-phosphate synthase, putative 0.1289 0.0854 0.0529
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.5704 0.3805 0.3801
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.5704 0.3805 0.3805
Leishmania major carboxylase, putative 0.5704 0.3805 0.3584
Trypanosoma cruzi acetyl-CoA carboxylase 0.9271 0.6188 1
Schistosoma mansoni hypothetical protein 0.0058 0.0032 0.0026
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0525 0.0343 0.0343
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.5704 0.3805 1
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.2029 0.1349 0.2905
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.2029 0.1349 0.2905
Echinococcus multilocularis Biotin lipoyl attachment 0.0525 0.0343 0.0343
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 1.4975 1 1
Loa Loa (eye worm) hypothetical protein 0.0525 0.0343 0.0356
Loa Loa (eye worm) hypothetical protein 0.0286 0.0184 0.019
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0525 0.0343 0.0338
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.003 0.003
Chlamydia trachomatis biotin carboxylase 0.518 0.3454 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0006 0.0006
Schistosoma mansoni pyruvate carboxylase 0.5704 0.3805 0.3801
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.2029 0.1349 0.1349
Loa Loa (eye worm) hypothetical protein 0.0041 0.002 0.0021
Schistosoma mansoni survival motor neuron protein 0.0058 0.0032 0.0026
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.5704 0.3805 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0006 0.0006
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.002 0.0021
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.2029 0.1349 0.2905
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0032 0.0033
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.003 0.0024
Leishmania major acetyl-CoA carboxylase, putative 1.4975 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.003 0.0031
Schistosoma mansoni cpg binding protein 0.0037 0.0017 0.0012
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.2029 0.1349 0.1317
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.5704 0.3805 1
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0525 0.0343 0.0356
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0525 0.0343 0.0343
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.5704 0.3805 0.3801
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0042 0.0036
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.003 0.0024
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.2554 0.1699 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.003 0.0024
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.003 0.003
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0019 0.0006 0.0006
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0006 0.0006
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.1289 0.0854 0.1476
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0525 0.0343 0.0308
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.1289 0.0854 0.0874

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 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) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 14.7157 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 (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 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) = 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 ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 70.7946 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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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