Detailed information for compound 1368885

Basic information

Technical information
  • TDR Targets ID: 1368885
  • Name: N-cyclopentyl-N'-(3,3-dimethyl-2-oxobutyl)ben zene-1,4-disulfonamide
  • MW: 402.529 | Formula: C17H26N2O5S2
  • H donors: 2 H acceptors: 5 LogP: 2.27 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(C)(C)C)CNS(=O)(=O)c1ccc(cc1)S(=O)(=O)NC1CCCC1
  • InChi: 1S/C17H26N2O5S2/c1-17(2,3)16(20)12-18-25(21,22)14-8-10-15(11-9-14)26(23,24)19-13-6-4-5-7-13/h8-11,13,18-19H,4-7,12H2,1-3H3
  • InChiKey: BCDTVKJCLRKEOO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-cyclopentyl-N'-(3,3-dimethyl-2-oxo-butyl)benzene-1,4-disulfonamide
  • N-cyclopentyl-N'-(2-keto-3,3-dimethyl-butyl)benzene-1,4-disulfonamide
  • MLS000880467
  • ASN 04886566
  • Benzene-1,4-disulfonic acid 1-cyclopentylamide 4-[(3,3-dimethyl-2-oxo-butyl)-amide]
  • MLS000033135
  • SMR000003682
  • ZINC01341924

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii thioredoxin reductase 0.0049 0.1338 0.5933
Trichomonas vaginalis CAMK family protein kinase 0.019 0.6126 1
Brugia malayi Protein cec-1. 0.0014 0.0135 0.0135
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0245 0.0261
Loa Loa (eye worm) hypothetical protein 0.0014 0.0135 0.0135
Brugia malayi N-terminal motif family protein 0.0175 0.563 0.563
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0109 0.3367 0.5497
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0014 0.0135 0.022
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1283 0.2095
Trypanosoma brucei trypanothione reductase 0.0049 0.1338 0.1858
Schistosoma mansoni survival motor neuron protein 0.0058 0.1649 0.2692
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0112 0.3479 0.8837
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2162 0.353
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.1283 0.1283
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0114 0.3544 0.3544
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2162 1
Trichomonas vaginalis CAMK family protein kinase 0.019 0.6126 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0112 0.3479 0.8837
Loa Loa (eye worm) hypothetical protein 0.0286 0.9387 0.9387
Brugia malayi Thioredoxin reductase 0.0049 0.1338 0.1338
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0114 0.3544 0.3775
Schistosoma mansoni hypothetical protein 0.0014 0.0135 0.022
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0245 0.0184
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.1394 0.1394
Plasmodium falciparum thioredoxin reductase 0.0049 0.1338 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0125 0.3905 1
Brugia malayi CHD4 protein 0.0014 0.0135 0.0135
Leishmania major trypanothione reductase 0.0049 0.1338 0.1858
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1283 0.1367
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.2864 0.4555
Schistosoma mansoni chromobox protein 0.0084 0.253 0.413
Plasmodium falciparum glutathione reductase 0.0017 0.0245 0.0919
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1283 0.2095
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0135 0.022
Brugia malayi SET domain containing protein 0.0014 0.0135 0.0135
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1649 0.1649
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1283 0.1367
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0014 0.0135 0.022
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0803 0.1115
Echinococcus multilocularis chromobox protein 1 0.0084 0.253 0.2695
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.1338 0.1425
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0092 0.0092
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0112 0.3479 0.8837
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2162 1
Onchocerca volvulus 0.0014 0.0135 0.0135
Echinococcus granulosus Chromobox protein 3 0.0014 0.0135 0.0144
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.1283 0.1283
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.019 0.6126 1
Echinococcus multilocularis Chromobox protein 3 0.0014 0.0135 0.0144
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.019 0.6126 0.6126
Brugia malayi hypothetical protein 0.0014 0.0135 0.0135
Loa Loa (eye worm) glutathione reductase 0.0049 0.1338 0.1338
Trichomonas vaginalis chromobox protein, putative 0.0051 0.1394 0.2101
Echinococcus granulosus chromobox protein 1 0.0084 0.253 0.2695
Giardia lamblia Kinase, PLK 0.019 0.6126 1
Trypanosoma cruzi polo-like protein kinase, putative 0.019 0.6126 1
Loa Loa (eye worm) hypothetical protein 0.0304 1 1
Brugia malayi Heterochromatin protein 1 0.0084 0.253 0.253
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.1338 0.2985
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0112 0.3479 0.8837
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0014 0.0135 0.0144
Echinococcus multilocularis Chromo domain 0.0014 0.0135 0.0144
Trichomonas vaginalis CAMK family protein kinase 0.019 0.6126 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0245 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.1338 0.1425
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.1272 0.1897
Brugia malayi serine/threonine-protein kinase plk-2 0.019 0.6126 0.6126
Brugia malayi Valyl-tRNA synthetase 0.0014 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0014 0.0135 0.0135
Brugia malayi MH2 domain containing protein 0.0116 0.361 0.361
Echinococcus multilocularis chromobox protein 1 0.0084 0.253 0.2695
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.2162 0.5238
Onchocerca volvulus 0.0058 0.1649 0.1649
Trypanosoma cruzi polo-like protein kinase, putative 0.019 0.6126 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0014 0.0135 0.022
Schistosoma mansoni hypothetical protein 0.0176 0.5657 0.9234
Trypanosoma brucei polo-like protein kinase 0.019 0.6126 1
Brugia malayi M-phase phosphoprotein, mpp8 0.0014 0.0135 0.0135
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.2864 0.4555
Mycobacterium tuberculosis Probable dehydrogenase 0.0112 0.3479 0.8837
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0245 0.0261
Onchocerca volvulus 0.0037 0.0925 0.0925
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0092 0.0092
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0245 0.0245
Schistosoma mansoni chromobox protein 0.0014 0.0135 0.022
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0014 0.0135 0.0144
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0014 0.0135 0.0135
Onchocerca volvulus 0.0014 0.0135 0.0135
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2162 1
Echinococcus granulosus chromobox protein 1 0.0084 0.253 0.2695
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.2162 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.2162 0.2303
Brugia malayi glutathione reductase 0.0049 0.1338 0.1338
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1283 0.2095
Echinococcus granulosus geminin 0.0176 0.5657 0.6026
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.0245 0.0919
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0125 0.3905 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.1272 0.1272
Mycobacterium tuberculosis Probable reductase 0.0112 0.3479 0.8837
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.0245 0.0919
Schistosoma mansoni chromobox protein 0.0014 0.0135 0.022
Echinococcus granulosus chromobox protein 2 0.0014 0.0135 0.0144
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0803 0.1115
Onchocerca volvulus 0.0304 1 1
Treponema pallidum NADH oxidase 0.0017 0.0245 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0245 0.5
Entamoeba histolytica serine/threonine protein kinase, putative 0.019 0.6126 1
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.361 0.361
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0245 0.0919
Brugia malayi chromobox protein homolog 3 0.0047 0.1272 0.1272
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0245 0.0184
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0175 0.563 0.563
Loa Loa (eye worm) hypothetical protein 0.0014 0.0135 0.0135
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.361 0.361
Trichomonas vaginalis CAMK family protein kinase 0.019 0.6126 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1283 0.1367
Plasmodium falciparum glutathione reductase 0.0049 0.1338 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0925 0.0925
Loa Loa (eye worm) hypothetical protein 0.0014 0.0135 0.0135
Echinococcus multilocularis chromobox protein 2 0.0014 0.0135 0.0144
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0014 0.0135 0.0144
Loa Loa (eye worm) hypothetical protein 0.0175 0.563 0.563
Schistosoma mansoni serine/threonine protein kinase 0.019 0.6126 1
Brugia malayi Associated with TFs and helicases family protein 0.0014 0.0135 0.0135
Echinococcus granulosus serine:threonine protein kinase PLK1 0.019 0.6126 0.6526
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.1272 0.1897
Loa Loa (eye worm) hypothetical protein 0.0014 0.0135 0.0135
Schistosoma mansoni hypothetical protein 0.0058 0.1649 0.2692
Echinococcus multilocularis geminin 0.0176 0.5657 0.6026
Trichomonas vaginalis CAMK family protein kinase 0.019 0.6126 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.019 0.6126 0.6526
Echinococcus granulosus Chromo domain 0.0014 0.0135 0.0144
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2162 0.353
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.9387 1
Plasmodium vivax glutathione reductase, putative 0.0049 0.1338 1
Onchocerca volvulus 0.0014 0.0135 0.0135
Schistosoma mansoni kinase 0.0096 0.2949 0.4814
Schistosoma mansoni chromobox protein 0.0084 0.253 0.413
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0114 0.3544 0.3775
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0014 0.0135 0.0144
Trichomonas vaginalis CAMK family protein kinase 0.019 0.6126 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0135 0.0135
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.1338 0.1338
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1283 0.1367
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.253 0.253
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.2162 0.326
Loa Loa (eye worm) CHromoDomain protein family member 0.0014 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0014 0.0135 0.0135
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.2162 0.2303
Brugia malayi hypothetical protein 0.0286 0.9387 0.9387
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0245 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.9387 1
Trichomonas vaginalis CAMK family protein kinase 0.019 0.6126 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0125 0.3905 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0245 0.0919
Loa Loa (eye worm) helicase 0.0014 0.0135 0.0135
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0125 0.3905 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.019 0.6126 0.6126
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0114 0.3544 0.3544
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.1272 0.1272
Trichomonas vaginalis chromobox protein, putative 0.0051 0.1394 0.2101
Trichomonas vaginalis chromobox protein, putative 0.0084 0.253 0.3998
Plasmodium falciparum thioredoxin reductase 0.0017 0.0245 0.0919
Trichomonas vaginalis chromobox protein, putative 0.0084 0.253 0.3998
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.1338 1
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.1338 0.1858
Schistosoma mansoni hypothetical protein 0.0176 0.5657 0.9234
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0245 0.0401
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0135 0.022
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0245 0.0545
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0245 0.0545

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3162 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 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
Potency (functional) = 17.7828 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) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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