Detailed information for compound 1221448

Basic information

Technical information
  • TDR Targets ID: 1221448
  • Name: 4-[(2-oxoindol-3-yl)amino]benzenesulfonamide
  • MW: 301.32 | Formula: C14H11N3O3S
  • H donors: 2 H acceptors: 3 LogP: 1.12 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2c(C1=Nc1ccc(cc1)S(=O)(=O)N)cccc2
  • InChi: 1S/C14H11N3O3S/c15-21(19,20)10-7-5-9(6-8-10)16-13-11-3-1-2-4-12(11)17-14(13)18/h1-8H,(H2,15,19,20)(H,16,17,18)
  • InChiKey: FXNKQWYBLXKGFU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(2-oxo-3-indolyl)amino]benzenesulfonamide
  • 4-[(2-ketoindol-3-yl)amino]benzenesulfonamide
  • 83088-99-7
  • 4-[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)amino]benzenesulfonamide
  • AH-034/32860026
  • NCGC00014320
  • NSC-133074
  • NCI133074
  • NSC133074
  • IFLab1_000509
  • 4-((2-oxo-1,2-dihydro-3H-indol-3-ylidene)amino)benzenesulfonamide
  • NCIStruc1_001473
  • 4-(2-Oxo-1,2-dihydro-indol-3-ylideneamino)-benzenesulfonamide
  • BAS 00382581
  • NCI60_000726
  • ZINC00288459
  • ZINC04579415
  • SMR000015408
  • NCIStruc2_001875
  • MLS000738225

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens carbonic anhydrase II Starlite/ChEMBL References
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens carbonic anhydrase I Starlite/ChEMBL References
Candida albicans Involved in protection against oxidative damage Starlite/ChEMBL References
Candida glabrata CBS 138 Carbonic anhydrase Starlite/ChEMBL References
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127503 All targets in OG5_127503
Leishmania mexicana carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Leishmania braziliensis carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
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 mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania donovani carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB Get druggable targets OG5_127503 All targets in OG5_127503
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Eukaryotic-type carbonic anhydrase family protein Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania major carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma brucei carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni carbonic anhydrase Get druggable targets OG5_127503 All targets in OG5_127503
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Mycobacterium ulcerans carbonic anhydrase Get druggable targets OG5_127503 All targets in OG5_127503
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
Entamoeba histolytica carbonic anhydrase, putative Get druggable targets OG5_127503 All targets in OG5_127503
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127628 All targets in OG5_127628
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
Leishmania infantum carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Brugia malayi Putative carbonic anhydrase 5 precursor Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania donovani carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Loa Loa (eye worm) carbonic anhydrase 3 Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania infantum carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania major carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Candida albicans Involved in protection against oxidative damage Get druggable targets OG5_127503 All targets in OG5_127503
Echinococcus multilocularis carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Candida albicans Involved in protection against oxidative damage Get druggable targets OG5_127503 All targets in OG5_127503
Leishmania braziliensis carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) Get druggable targets OG5_127503 All targets in OG5_127503
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase I 261 aa 281 aa 25.3 %
Brugia malayi Carbonic anhydrase like protein 2 precursor carbonic anhydrase II 260 aa 259 aa 32.0 %
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) Carbonic anhydrase   219 aa 199 aa 25.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0012 0.0033
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0026 0.0072
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0181 0.2022 0.7557
Echinococcus granulosus jun protein 0.0085 0.0819 0.0819
Plasmodium falciparum carbonic anhydrase 0.0067 0.0602 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0026 0.0099
Brugia malayi hypothetical protein 0.0066 0.0593 0.2215
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0133 0.1428 0.2149
Loa Loa (eye worm) hypothetical protein 0.018 0.2017 0.754
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0193 0.2174 0.2174
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.0602 0.225
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0115 0.0174
Loa Loa (eye worm) MBCTL1 0.0055 0.0446 0.1668
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0193 0.2174 0.2174
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0181 0.2022 0.2022
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0363 0.0363
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0012 0.0033
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0115 0.0174
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0446 0.1668
Loa Loa (eye worm) carbonic anhydrase 3 0.0181 0.2022 0.7557
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.0602 0.0602
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0454 0.0454
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0363 0.0363
Trichomonas vaginalis conserved hypothetical protein 0.0238 0.2738 1
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0363 0.0363
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0028 0.0115 0.0174
Loa Loa (eye worm) hypothetical protein 0.0021 0.0026 0.0099
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0115 0.0174
Loa Loa (eye worm) hypothetical protein 0.0048 0.0363 0.1358
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0454 0.0454
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0115 0.0174
Brugia malayi mbt repeat family protein 0.0048 0.0363 0.1358
Loa Loa (eye worm) hypothetical protein 0.0021 0.0026 0.0099
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0085 0.0819 0.0819
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0028 0.0115 0.0314
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0115 0.0431
Echinococcus granulosus muscleblind protein 0.018 0.2017 0.2017
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0454 0.1696
Echinococcus granulosus carbonic anhydrase 0.0067 0.0602 0.0602
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0454 0.0454
Schistosoma mansoni aldehyde dehydrogenase 0.0133 0.1428 0.1428
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0115 0.0174
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0181 0.2022 0.7557
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.0602 0.225
Schistosoma mansoni aldehyde dehydrogenase 0.0133 0.1428 0.1428
Onchocerca volvulus 0.0066 0.0593 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.0115 0.0174
Loa Loa (eye worm) hypothetical protein 0.0028 0.0115 0.0431
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0551 0.6642 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0026 0.0099
Echinococcus granulosus carbonic anhydrase 0.0067 0.0602 0.0602
Brugia malayi follicle stimulating hormone receptor 0.0233 0.2675 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0 0.5
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0238 0.2738 0.7466
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0454 0.0454
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.0026 0.004
Echinococcus granulosus carbonic anhydrase 0.0067 0.0602 0.0602
Brugia malayi mbt repeat family protein 0.0048 0.0363 0.1358
Toxoplasma gondii hypothetical protein 0.0067 0.0602 0.4217
Loa Loa (eye worm) hypothetical protein 0.0067 0.0602 0.225
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0028 0.0115 0.0314
Loa Loa (eye worm) hypothetical protein 0.0067 0.0602 0.225
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0181 0.2022 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0067 0.0602 0.225
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0133 0.1428 0.1428
Loa Loa (eye worm) hypothetical protein 0.0028 0.0115 0.0431
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0028 0.0115 0.0174
Schistosoma mansoni hypothetical protein 0.0067 0.0602 0.0602
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0181 0.2022 0.2022
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0133 0.1428 0.3893
Mycobacterium ulcerans hypothetical protein 0.0028 0.0115 0.0174
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.0026 0.0438
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0454 0.0454
Leishmania major carbonic anhydrase-like protein 0.0181 0.2022 0.3044
Loa Loa (eye worm) hypothetical protein 0.0055 0.0446 0.1668
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0028 0.0115 0.0174
Loa Loa (eye worm) hypothetical protein 0.0082 0.079 0.2954
Echinococcus multilocularis carbonic anhydrase 0.0067 0.0602 0.0602
Schistosoma mansoni carbonic anhydrase 0.0067 0.0602 0.0602
Schistosoma mansoni microtubule-associated protein tau 0.0819 1 1
Brugia malayi Muscleblind-like protein 0.018 0.2017 0.754
Echinococcus multilocularis jun protein 0.0085 0.0819 0.0819
Echinococcus multilocularis carbonic anhydrase 0.0067 0.0602 0.0602
Brugia malayi bZIP transcription factor family protein 0.0085 0.0819 0.3062
Leishmania major carbonic anhydrase family protein, putative 0.0551 0.6642 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0026 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0363 0.0363
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0085 0.0819 0.0819
Echinococcus multilocularis muscleblind protein 0.018 0.2017 0.2017
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0454 0.0454
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0446 0.0446
Trypanosoma brucei carbonic anhydrase-like protein 0.0181 0.2022 1
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0115 0.0431
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0067 0.0602 0.225
Schistosoma mansoni hypothetical protein 0.0069 0.0621 0.0621
Trichomonas vaginalis conserved hypothetical protein 0.0238 0.2738 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0028 0.0115 0.0174
Loa Loa (eye worm) hypothetical protein 0.0028 0.0115 0.0431
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0446 0.0446
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0181 0.2022 1
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0363 0.0363
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0028 0.0115 0.0174
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.0026 1
Echinococcus granulosus carbonic anhydrase II 0.0181 0.2022 0.2022
Schistosoma mansoni hypothetical protein 0.0296 0.3457 0.3457
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0181 0.2022 0.7557
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0363 0.0363
Toxoplasma gondii aldehyde dehydrogenase 0.0133 0.1428 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0363 0.5195
Mycobacterium ulcerans aldehyde dehydrogenase 0.0133 0.1428 0.2149
Mycobacterium ulcerans aldehyde dehydrogenase 0.0133 0.1428 0.2149
Entamoeba histolytica carbonic anhydrase, putative 0.0551 0.6642 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0012 0.0033
Loa Loa (eye worm) hypothetical protein 0.018 0.2017 0.754
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0446 0.0446
Echinococcus multilocularis carbonic anhydrase II 0.0181 0.2022 0.2022
Mycobacterium ulcerans carbonic anhydrase 0.0238 0.2738 0.4122
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0067 0.0602 0.225
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0446 0.0446
Echinococcus multilocularis muscleblind protein 1 0.018 0.2017 0.2017
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.0602 0.0602
Echinococcus multilocularis microtubule associated protein 2 0.0819 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0454 0.1696
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0454 0.0454
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.0602 0.225
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0133 0.1428 0.1428
Mycobacterium ulcerans aldehyde dehydrogenase 0.0133 0.1428 0.2149
Loa Loa (eye worm) hypothetical protein 0.0067 0.0602 0.225
Loa Loa (eye worm) hypothetical protein 0.0021 0.0026 0.0099
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.0115 0.0174
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0363 0.0363
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0446 0.0446
Echinococcus multilocularis carbonic anhydrase 0.0067 0.0602 0.0602
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0233 0.2675 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0115 0.0174
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0115 0.0431
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0363 0.1358
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0312 0.3667 1
Mycobacterium ulcerans carbonic anhydrase 0.0551 0.6642 1
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.0602 0.0602
Schistosoma mansoni carbonic anhydrase 0.0551 0.6642 0.6642
Onchocerca volvulus 0.0048 0.0363 0.5195
Schistosoma mansoni jun-related protein 0.0069 0.0621 0.0621
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0012 0.0033

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
GI50 (functional) -4.434 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) -4 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) -4 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) -4 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) -4 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) -4 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) -4 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 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) -4 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) -4 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
Ki (binding) = 48.4 nM Inhibition of recombinant Candida glabrata beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay ChEMBL. 26951893
Ki (binding) = 86.5 nM Inhibition of recombinant Candida albicans beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay ChEMBL. 26951893
Ki (binding) = 422 nM Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay ChEMBL. 26951893
Ki (binding) = 523 nM Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay ChEMBL. 26951893
Potency (functional) 0.8913 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 (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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