Detailed information for compound 47610

Basic information

Technical information
  • TDR Targets ID: 47610
  • Name: disodium 6-(methylamino)-4-oxo-10-propylpyran o[3,2-g]quinoline-2,8-dicarboxylate
  • MW: 400.293 | Formula: C18H14N2Na2O6
  • H donors: 1 H acceptors: 6 LogP: 4.03 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1c2nc(cc(c2cc2c1oc(cc2=O)C(=O)[O-])NC)C(=O)[O-].[Na+].[Na+]
  • InChi: 1S/C18H16N2O6.2Na/c1-3-4-8-15-9(11(19-2)6-12(20-15)17(22)23)5-10-13(21)7-14(18(24)25)26-16(8)10;;/h5-7H,3-4H2,1-2H3,(H,19,20)(H,22,23)(H,24,25);;/q;2*+1/p-2
  • InChiKey: FLUKKNLCMRVHNR-UHFFFAOYSA-L  


Substructure search Similarity search

Network

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Synonyms

  • disodium 6-(methylamino)-4-oxo-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate
  • disodium 4-keto-6-(methylamino)-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate
  • disodium 6-methylamino-4-oxo-10-propylpyrano[5,6-g]quinoline-2,8-dicarboxylate
  • disodium 6-methylamino-4-oxo-10-propyl-pyrano[5,6-g]quinoline-2,8-dicarboxylate
  • disodium 4-keto-6-methylamino-10-propyl-pyrano[5,6-g]quinoline-2,8-dicarboxylate

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0253 0.1948 0.2443
Trichomonas vaginalis set domain proteins, putative 0.0255 0.1972 0.1961
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0032 0.0052 0.0305
Trypanosoma cruzi oxidoreductase, putative 0.0027 0.0013 0.0166
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0049 0.02 0.0439
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0224 0.17 0.2129
Toxoplasma gondii hypothetical protein 0.0027 0.0012 0.0071
Schistosoma mansoni hypothetical protein 0.0035 0.0078 0.0153
Echinococcus granulosus Niemann Pick C1 protein 0.0152 0.1082 0.2496
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0027 0.0013 0.0045
Schistosoma mansoni carbonic anhydrase 0.0493 0.4014 0.9341
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.017 0.0157
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0055 0.006
Echinococcus multilocularis X box binding protein 1 0.0311 0.2446 0.3346
Echinococcus granulosus Niemann Pick C1 protein 0.0106 0.0691 0.1583
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0049 0.02 0.0259
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0196 0.0661
Leishmania major NADP-dependent alcohol dehydrogenase, putative 0.0027 0.0013 0.0033
Entamoeba histolytica hypothetical protein 0.0112 0.0738 0.1812
Schistosoma mansoni hypothetical protein 0.0526 0.4297 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0224 0.1706 0.5759
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0119 0.0801 0.1841
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0112 0.0738 0.0998
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0027 0.0013 0.0166
Schistosoma mansoni hypothetical protein 0.0311 0.2446 0.5681
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0874 0.7286 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.0913 0.3083
Mycobacterium tuberculosis Possible zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0196 0.1466 0.1834
Toxoplasma gondii quinone oxidoreductase, putative 0.0027 0.0013 0.0078
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0326 0.0734
Schistosoma mansoni hypothetical protein 0.0044 0.0156 0.0336
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0055 0.0326
Trichomonas vaginalis conserved hypothetical protein 0.119 1 1
Echinococcus granulosus carbonic anhydrase II 0.0119 0.0801 0.1841
Toxoplasma gondii type I fatty acid synthase, putative 0.0027 0.0013 0.0078
Entamoeba histolytica carbonic anhydrase, putative 0.0493 0.4014 1
Leishmania major oxidoreductase-like protein 0.0027 0.0013 0.0033
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0326 0.1102
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0174 0.0223
Onchocerca volvulus Putative sulfate transporter 0.0199 0.1491 0.7546
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0174 0.0379
Echinococcus multilocularis carbonic anhydrase II 0.0119 0.0801 0.1084
Leishmania major quinone oxidoreductase, putative 0.0027 0.0013 0.0033
Plasmodium falciparum carbonic anhydrase 0.0027 0.0012 0.0601
Echinococcus granulosus sterol regulatory element binding protein 0.0046 0.017 0.0369
Loa Loa (eye worm) RNA binding protein 0.0064 0.0326 0.1102
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0108 0.0705 0.1616
Schistosoma mansoni zinc binding dehydrogenase 0.0027 0.0013 0.0003
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0055 0.0101
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0471 0.3823 0.4809
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0174 0.0379
Brugia malayi CHE-14 protein 0.0046 0.017 0.0575
Entamoeba histolytica hypothetical protein 0.0112 0.0738 0.1812
Echinococcus multilocularis protein dispatched 1 0.0052 0.0225 0.0293
Brugia malayi Pre-SET motif family protein 0.0032 0.0055 0.0187
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0049 0.02 0.2501
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0027 0.0013 0.0166
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0216 0.0729
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0119 0.0801 0.2704
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0326 0.1102
Chlamydia trachomatis sulfate transporter 0.0032 0.0052 0.5
Plasmodium vivax sulfate transporter, putative 0.0032 0.0052 0.2588
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.02 0.0259
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0326 0.0734
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0224 0.17 0.5739
Schistosoma mansoni hypothetical protein 0.0049 0.0196 0.0429
Echinococcus multilocularis sterol regulatory element binding protein 0.0046 0.017 0.0217
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0224 0.17 0.1689
Brugia malayi hypothetical protein 0.0112 0.0738 0.2493
Loa Loa (eye worm) hypothetical protein 0.0027 0.0012 0.0041
Brugia malayi hypothetical protein 0.0132 0.0913 0.3083
Onchocerca volvulus Huntingtin homolog 0.0132 0.0913 0.4595
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0055 0.0101
Schistosoma mansoni hypothetical protein 0.0044 0.0156 0.0336
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0216 0.0729
Echinococcus multilocularis expressed conserved protein 0.01 0.0635 0.0857
Brugia malayi RNA binding protein 0.0064 0.0326 0.1102
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0224 0.17 0.1689
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0119 0.0801 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0326 0.0734
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0106 0.0691 0.1693
Entamoeba histolytica hypothetical protein 0.0112 0.0738 0.1812
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0224 0.17 0.1689
Leishmania major carbonic anhydrase-like protein 0.0119 0.0801 0.1995
Wolbachia endosymbiont of Brugia malayi NADPH:quinone reductase 0.0027 0.0013 0.5
Schistosoma mansoni hypothetical protein 0.0526 0.4297 1
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.088 0.7336 0.9244
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0224 0.17 0.1689
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0326 0.0734
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0027 0.0012 0.0041
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase (E subunit) AdhE1 0.0196 0.1466 0.1834
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0326 0.0734
Echinococcus multilocularis geminin 0.0526 0.4297 0.5891
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0078 0.0262
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.02 0.0499
Loa Loa (eye worm) hypothetical protein 0.0035 0.0078 0.0262
Loa Loa (eye worm) hypothetical protein 0.0238 0.1822 0.6152
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0174 0.0223
Leishmania major oxidoreductase, putative 0.0027 0.0013 0.0033
Echinococcus multilocularis mitochondrial trans 2 enoyl coenzyme A reductase 0.0027 0.0013 0.0002
Loa Loa (eye worm) hypothetical protein 0.0106 0.0691 0.2331
Loa Loa (eye worm) transcription factor SMAD2 0.0371 0.2962 1
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR 0.0224 0.17 0.2303
Mycobacterium leprae probable proteasome (alpha subunit) PrcA 0.088 0.7336 1
Plasmodium vivax SET domain protein, putative 0.0032 0.0055 0.2768
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.02 0.2501
Brugia malayi Pre-SET motif family protein 0.0224 0.1706 0.5759
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0027 0.0012 0.0041
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0224 0.17 0.1689
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0493 0.4014 0.5464
Onchocerca volvulus 0.0049 0.0196 0.0932
Loa Loa (eye worm) hypothetical protein 0.0027 0.0013 0.0045
Echinococcus granulosus survival motor neuron protein 1 0.0238 0.1822 0.4225
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0049 0.02 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0174 0.0379
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.02 0.0259
Loa Loa (eye worm) isocitrate dehydrogenase 0.0049 0.02 0.0676
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0119 0.0801 0.1841
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0049 0.02 0.0236
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0119 0.0801 0.2704
Brugia malayi Niemann-Pick C1 protein precursor 0.0106 0.0691 0.2331
Echinococcus multilocularis Niemann Pick C1 protein 0.0106 0.0691 0.0933
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0055 0.0101
Leishmania major d-xylulose reductase, putative 0.0027 0.0013 0.0033
Mycobacterium ulcerans carbonic anhydrase 0.0493 0.4014 0.4006
Loa Loa (eye worm) hypothetical protein 0.0032 0.0055 0.0187
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0045 0.0078
Trypanosoma brucei oxidoreductase, putative 0.0027 0.0013 0.0166
Schistosoma mansoni alcohol dehydrogenase 0.0224 0.17 0.3939
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0032 0.0052 0.0039
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0119 0.0801 0.2704
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0032 0.0052 0.2588
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0055 0.0101
Trypanosoma brucei carbonic anhydrase-like protein 0.0119 0.0801 1
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.095 0.7934 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.017 0.0575
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0055 0.006
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0216 0.0729
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0326 0.0432
Onchocerca volvulus Huntingtin homolog 0.0132 0.0913 0.4595
Loa Loa (eye worm) hypothetical protein 0.0051 0.0216 0.0729
Mycobacterium ulcerans integral membrane transporter 0.0032 0.0052 0.0039
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0027 0.0012 0.0041
Entamoeba histolytica hypothetical protein 0.0112 0.0738 0.1812
Echinococcus multilocularis survival motor neuron protein 1 0.0238 0.1822 0.2489
Echinococcus granulosus geminin 0.0526 0.4297 1
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0032 0.0052 0.0647
Echinococcus granulosus X box binding protein 1 0.0311 0.2446 0.5681
Loa Loa (eye worm) hypothetical protein 0.0027 0.0013 0.0045
Onchocerca volvulus 0.0255 0.1972 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0112 0.0738 0.1695
Mycobacterium ulcerans proteasome PrcA 0.088 0.7336 0.7332
Echinococcus granulosus expressed conserved protein 0.01 0.0635 0.1454
Schistosoma mansoni patched 1 0.0046 0.017 0.0369
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0027 0.0012 0.0041
Echinococcus multilocularis Niemann Pick C1 protein 0.0152 0.1082 0.147
Loa Loa (eye worm) hypothetical protein 0.0027 0.0013 0.0045
Loa Loa (eye worm) hypothetical protein 0.0132 0.0913 0.3083
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0027 0.0012 0.0041
Schistosoma mansoni hypothetical protein 0.0044 0.0156 0.0336
Leishmania major carbonic anhydrase family protein, putative 0.0493 0.4014 1
Trypanosoma brucei oxidoreductase, putative 0.0027 0.0013 0.0166
Onchocerca volvulus 0.0032 0.0055 0.0215
Brugia malayi TAR-binding protein 0.0064 0.0326 0.1102
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.02 0.1178
Echinococcus granulosus tar DNA binding protein 0.0064 0.0326 0.0734
Mycobacterium leprae Probable transmembrane transport protein 0.023 0.1757 0.2381
Schistosoma mansoni hypothetical protein 0.0044 0.0156 0.0336
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0032 0.0052 0.0647
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0027 0.0013 0.0166
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0027 0.0013 0.0166
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0027 0.0013 0.0045
Loa Loa (eye worm) MH2 domain-containing protein 0.0371 0.2962 1
Schistosoma mansoni survival motor neuron protein 0.0049 0.0196 0.0429
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0049 0.02 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0174 0.0589
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.023 0.1757 0.2201
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0032 0.0052 0.0039
Echinococcus granulosus mitochondrial trans 2 enoyl coenzyme A reductase 0.0027 0.0013 0.0003
Onchocerca volvulus Putative alcohol dehydrogenase 0.0224 0.17 0.8612
Trypanosoma cruzi oxidoreductase, putative 0.0027 0.0013 0.0166
Echinococcus granulosus Protein patched homolog 1 0.0046 0.017 0.0369
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0049 0.02 0.0439
Onchocerca volvulus 0.0199 0.1491 0.7546
Brugia malayi isocitrate dehydrogenase 0.0049 0.02 0.0676
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0027 0.0013 0.0166
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.02 0.2501
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0046 0.017 0.0575
Brugia malayi MH2 domain containing protein 0.0371 0.2962 1
Brugia malayi Alcohol dehydrogenase class III 0.0224 0.17 0.5739
Echinococcus multilocularis isocitrate dehydrogenase 0.0049 0.02 0.0259
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0049 0.02 0.2501
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0027 0.0012 0.0041
Trichomonas vaginalis conserved hypothetical protein 0.119 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0258 0.0872
Loa Loa (eye worm) hypothetical protein 0.0027 0.0012 0.0041
Brugia malayi hypothetical protein 0.0238 0.1822 0.6152
Leishmania major zinc binding dehydrogenase-like protein 0.0027 0.0013 0.0033
Schistosoma mansoni hypothetical protein 0.0112 0.0738 0.1695
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0326 0.1102
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0224 0.17 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0055 0.0101
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.02 0.0259
Loa Loa (eye worm) hypothetical protein 0.0027 0.0012 0.0041
Brugia malayi Isocitrate dehydrogenase 0.0049 0.02 0.0676
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0032 0.0052 0.0647
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0174 0.0379
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.02 0.1178
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0027 0.0013 0.0166
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0119 0.0801 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0119 0.0801 0.2704
Schistosoma mansoni transcription factor LCR-F1 0.0112 0.0738 0.1695
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0174 0.0589
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0174 0.0379
Echinococcus multilocularis protein patched 0.0046 0.017 0.0217

Activities

Activity type Activity value Assay description Source Reference
Activity index (functional) = 4 Activity index was evaluated by dog hypotension screen assay at 20 ug/Kg per min for 15 min ChEMBL. 2999403
IC30 (functional) = 28.5 uM Ability of the compound to inhibit histamine release from monkey lung lavage cells ChEMBL. 2999403
ID50 (functional) = 0.22 mg kg-1 Inhibitory dose by PCA test in rat peritoneal mast cells. ChEMBL. 2999403
Inhibition (functional) = 80 % Percent inhibition was evaluated by dog hypotension screen assay at 20 ug/Kg per min for 15 min ChEMBL. 2999403
Log PR (ADMET) = -1.91 log PR value of the compound was determined (eq 2) ChEMBL. 2455052
Log PR (ADMET) = -0.66 log PR value ChEMBL. 2455052
pK3 = 8.63 Dissociation constant of the compound (eq 2) ChEMBL. 2455052
pKa1 = 0.5 Dissociation constant (pKa1) of the compound was determined using partition method ChEMBL. 2455052
pKa2 = 1.62 Dissociation constant (pKa2) of the compound was determined using partition method ChEMBL. 2455052
Potency (functional) 0 Compound was evaluated to induce phosphorylation of the 78000 molecular weight mast cell protein; Active to induce phosphorylation ChEMBL. 2999403
Potency (functional) = 6 Ability of the compound to inhibit histamine release from rat peritoneal mast cells ChEMBL. 2999403
Potency (functional) = 7.1 Ability of the compound to inhibit histamine release from rat peritoneal mast cells using PCA assay. ChEMBL. 2999403
Potency ratio (functional) = 0.012 In vitro inhibition of anti-IgE induced histamine release from bronchoalveolar mast cells of monkey infected with Ascaris suum ChEMBL. 2455052
Potency ratio (functional) = 7.13 Potency ratio of the compound to that of sodium cromoglycate (1.0) using PCA test. ChEMBL. 2999403
Relative activity (functional) = 1.25 Relative activity of the compound in dog hypotension ChEMBL. 2999403
Relative potency (functional) = 35 Ability of the compound to inhibit histamine release from monkey lung lavage cells ChEMBL. 2999403

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

2 literature references were collected for this gene.

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