Detailed information for compound 1300488

Basic information

Technical information
  • TDR Targets ID: 1300488
  • Name: (5E)-5-[1-(3-imidazol-1-ylpropylamino)ethylid ene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6- trione
  • MW: 383.401 | Formula: C19H21N5O4
  • H donors: 2 H acceptors: 4 LogP: 1.82 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1C(=O)NC(=O)/C(=C(\NCCCn2ccnc2)/C)/C1=O
  • InChi: 1S/C19H21N5O4/c1-13(21-8-3-10-23-11-9-20-12-23)16-17(25)22-19(27)24(18(16)26)14-4-6-15(28-2)7-5-14/h4-7,9,11-12,21H,3,8,10H2,1-2H3,(H,22,25,27)/b16-13+
  • InChiKey: UYAYTCIYLURHGB-DTQAZKPQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[1-(3-imidazol-1-ylpropylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
  • (5E)-5-[1-(3-imidazol-1-ylpropylamino)ethylidene]-1-(4-methoxyphenyl)hexahydropyrimidine-2,4,6-trione
  • 5-[1-(3-imidazol-1-ylpropylamino)ethylidene]-1-(4-methoxyphenyl)hexahydropyrimidine-2,4,6-trione
  • (5E)-5-[1-[3-(1-imidazolyl)propylamino]ethylidene]-1-(4-methoxyphenyl)hexahydropyrimidine-2,4,6-trione
  • 5-[1-[3-(1-imidazolyl)propylamino]ethylidene]-1-(4-methoxyphenyl)hexahydropyrimidine-2,4,6-trione
  • 5-[1-(3-imidazol-1-ylpropylamino)ethylidene]-1-(4-methoxyphenyl)barbituric acid
  • (5E)-5-[1-(3-imidazol-1-ylpropylamino)ethylidene]-1-(4-methoxyphenyl)barbituric acid
  • MLS000558171
  • SMR000148887
  • STOCK4S-08263
  • 5-[1-(3-Imidazol-1-yl-propylamino)-eth-(E)-ylidene]-1-(4-methoxy-phenyl)-pyrimidine-2,4,6-trione

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii tRNA ligases class I (M) protein 0.0173 0.1315 0.3161
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0148 0.1079 0.2555
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2311 0.5719
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0148 0.1079 0.2555
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0424 0.087
Schistosoma mansoni hypothetical protein 0.0307 0.259 0.4334
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.0424 0.087
Echinococcus granulosus GPCR family 2 0.0307 0.259 0.6514
Trypanosoma cruzi PAB1-binding protein , putative 0.0077 0.0403 0.0816
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0148 0.1079 0.1806
Echinococcus multilocularis smad 0.0074 0.0376 0.0946
Loa Loa (eye worm) hypothetical protein 0.0043 0.0085 0.0024
Loa Loa (eye worm) hypothetical protein 0.0077 0.0403 0.0343
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0173 0.1315 0.3308
Brugia malayi protein ZK524.3 0.0173 0.1315 0.1261
Brugia malayi N-terminal motif family protein 0.0178 0.1363 0.1309
Chlamydia trachomatis methionine--tRNA ligase 0.0173 0.1315 1
Plasmodium falciparum methionine--tRNA ligase, putative 0.0173 0.1315 0.2554
Loa Loa (eye worm) hypothetical protein 0.0173 0.1315 0.1261
Trypanosoma brucei PAB1-binding protein , putative 0.0077 0.0403 0.0816
Echinococcus granulosus TGF beta signal transducer SmadC 0.0074 0.0376 0.0946
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0165 0.0415
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0971 0.8893 0.8887
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0074 0.0376 0.0946
Brugia malayi MH2 domain containing protein 0.0074 0.0376 0.0316
Echinococcus multilocularis methionine tRNA synthetase 0.0453 0.3976 1
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0453 0.3976 1
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.028 0.2333 0.2286
Schistosoma mansoni Smad4 0.0074 0.0376 0.0629
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0173 0.1315 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0307 0.259 0.6514
Loa Loa (eye worm) MH2 domain-containing protein 0.1087 1 1
Brugia malayi hypothetical protein 0.005 0.0144 0.0083
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0178 0.1363 0.5684
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0165 0.0415
Plasmodium falciparum methionine--tRNA ligase 0.0453 0.3976 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0193 0.1509 0.1456
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0085 0.0024
Schistosoma mansoni methionine-tRNA synthetase 0.0453 0.3976 0.6653
Loa Loa (eye worm) RNA binding protein 0.0193 0.1509 0.1456
Treponema pallidum leucyl-tRNA synthetase 0.0173 0.1315 1
Loa Loa (eye worm) hypothetical protein 0.0173 0.1315 0.1261
Loa Loa (eye worm) hypothetical protein 0.0043 0.0085 0.0024
Echinococcus granulosus methionine tRNA synthetase 0.0453 0.3976 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0307 0.259 0.2544
Toxoplasma gondii methionyl-tRNA synthetase 0.0453 0.3976 1
Brugia malayi MH2 domain containing protein 0.0074 0.0376 0.0316
Schistosoma mansoni smad1 5 8 and 0.0074 0.0376 0.0629
Loa Loa (eye worm) TAR-binding protein 0.0193 0.1509 0.1456
Plasmodium vivax methionine--tRNA ligase, putative 0.0173 0.1315 0.3161
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0453 0.3976 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0148 0.1079 0.2715
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0085 0.0143
Plasmodium vivax ataxin-2 like protein, putative 0.0077 0.0403 0.0816
Loa Loa (eye worm) hypothetical protein 0.0043 0.0085 0.0024
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0424 0.087
Brugia malayi isocitrate dehydrogenase 0.0148 0.1079 0.1024
Leishmania major methionyl-tRNA synthetase, putative 0.0453 0.3976 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0085 0.0024
Brugia malayi beta-lactamase 0.0043 0.0085 0.0024
Echinococcus multilocularis tar DNA binding protein 0.0193 0.1509 0.3794
Loa Loa (eye worm) beta-lactamase 0.0043 0.0085 0.0024
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0453 0.3976 0.3939
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0148 0.1079 0.2555
Loa Loa (eye worm) hypothetical protein 0.0664 0.5976 0.5951
Loa Loa (eye worm) MH1 domain-containing protein 0.0074 0.0376 0.0316
Brugia malayi hypothetical protein 0.0077 0.0403 0.0343
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.0165 0.0205
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.0424 0.1066
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0971 0.8893 0.8887
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0085 0.0215
Echinococcus multilocularis leucyl tRNA synthetase 0.0173 0.1315 0.3308
Loa Loa (eye worm) transcription factor SMAD2 0.1087 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0664 0.5976 0.5951
Brugia malayi RNA binding protein 0.0193 0.1509 0.1456
Plasmodium vivax methionine--tRNA ligase, putative 0.0453 0.3976 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0307 0.259 0.2544
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0148 0.1079 0.2715
Loa Loa (eye worm) hypothetical protein 0.0971 0.8893 0.8887
Toxoplasma gondii isocitrate dehydrogenase 0.0148 0.1079 0.2555
Schistosoma mansoni hypothetical protein 0.0307 0.259 0.4334
Brugia malayi beta-lactamase family protein 0.0043 0.0085 0.0024
Brugia malayi beta-lactamase family protein 0.0043 0.0085 0.0024
Loa Loa (eye worm) hypothetical protein 0.0178 0.1363 0.1309
Chlamydia trachomatis leucine--tRNA ligase 0.0173 0.1315 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.1078 0.4414
Loa Loa (eye worm) isocitrate dehydrogenase 0.0148 0.1079 0.1024
Loa Loa (eye worm) hypothetical protein 0.0307 0.259 0.2544
Brugia malayi Calcitonin receptor-like protein seb-1 0.0971 0.8893 0.8887
Echinococcus granulosus tar DNA binding protein 0.0193 0.1509 0.3794
Brugia malayi TAR-binding protein 0.0193 0.1509 0.1456
Brugia malayi MH1 domain containing protein 0.0074 0.0376 0.0316
Leishmania major leucyl-tRNA synthetase, putative 0.0173 0.1315 0.3161
Loa Loa (eye worm) MH2 domain-containing protein 0.0074 0.0376 0.0316
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.0424 0.0709
Schistosoma mansoni methionine-tRNA synthetase 0.0173 0.1315 0.2201
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0148 0.1079 0.2555
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0453 0.3976 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.1078 0.4414
Wolbachia endosymbiont of Brugia malayi leucyl-tRNA synthetase 0.0173 0.1315 0.2509
Toxoplasma gondii LsmAD domain-containing protein 0.0077 0.0403 0.0816
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0148 0.1079 0.2555
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0453 0.3976 1
Brugia malayi methionyl-tRNA synthetase 0.0453 0.3976 0.3939
Loa Loa (eye worm) hypothetical protein 0.0148 0.1078 0.1022
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0424 0.087
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0307 0.259 0.6514
Onchocerca volvulus 0.028 0.2333 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.1078 0.1022
Loa Loa (eye worm) hypothetical protein 0.0043 0.0085 0.0024
Giardia lamblia Methionyl-tRNA synthetase 0.0453 0.3976 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0074 0.0376 0.0629
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0148 0.1079 0.2715
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.0424 0.087
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0085 0.0215
Brugia malayi Smad1 0.0074 0.0376 0.0316
Schistosoma mansoni hypothetical protein 0.0307 0.259 0.4334
Brugia malayi methionyl-tRNA synthetase 0.0173 0.1315 0.1261
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0148 0.1079 0.2715
Schistosoma mansoni tar DNA-binding protein 0.0193 0.1509 0.2524
Echinococcus granulosus smad 0.0074 0.0376 0.0946
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0424 0.0059
Brugia malayi Latrophilin receptor protein 2 0.0307 0.259 0.2544
Leishmania major hypothetical protein, conserved 0.0077 0.0403 0.0816
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.0165 0.0205
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.0165 0.0205
Trypanosoma cruzi PAB1-binding protein , putative 0.0077 0.0403 0.0816
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0148 0.1079 0.2715
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0453 0.3976 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0074 0.0376 0.0946
Brugia malayi Probable ClpP-like protease 0.0079 0.0424 0.0365
Brugia malayi Cytochrome P450 family protein 0.0063 0.0272 0.0212
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0085 0.0024
Brugia malayi hypothetical protein 0.0148 0.1078 0.1022
Plasmodium vivax hypothetical protein, conserved 0.0173 0.1315 0.3161
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0148 0.1079 0.2555
Schistosoma mansoni smad1 5 8 and 0.0074 0.0376 0.0629
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0307 0.259 0.6514
Treponema pallidum methionyl-tRNA synthetase 0.0173 0.1315 1
Brugia malayi RNA recognition motif domain containing protein 0.0193 0.1509 0.1456
Schistosoma mansoni tar DNA-binding protein 0.0193 0.1509 0.2524
Loa Loa (eye worm) hypothetical protein 0.0173 0.1315 0.1261
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0424 0.087
Echinococcus granulosus Smad4 0.0074 0.0376 0.0946
Brugia malayi Isocitrate dehydrogenase 0.0148 0.1079 0.1024
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0307 0.259 0.6514
Loa Loa (eye worm) cytochrome P450 family protein 0.0063 0.0272 0.0212
Loa Loa (eye worm) Smad1 0.0074 0.0376 0.0316
Schistosoma mansoni tar DNA-binding protein 0.0193 0.1509 0.2524
Schistosoma mansoni hypothetical protein 0.0664 0.5976 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0148 0.1079 0.1894
Toxoplasma gondii isocitrate dehydrogenase 0.0148 0.1079 0.2555
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0453 0.3976 1
Schistosoma mansoni hypothetical protein 0.0307 0.259 0.4334
Loa Loa (eye worm) hypothetical protein 0.0043 0.0085 0.0024
Loa Loa (eye worm) hypothetical protein 0.0079 0.0424 0.0365
Brugia malayi MH1 domain containing protein 0.0074 0.0376 0.0316
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0453 0.3976 1
Schistosoma mansoni tar DNA-binding protein 0.0193 0.1509 0.2524
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.0424 0.1066
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0173 0.1315 0.3308
Schistosoma mansoni smad1 5 8 and 0.0074 0.0376 0.0629
Schistosoma mansoni tar DNA-binding protein 0.0193 0.1509 0.2524
Schistosoma mansoni smad 0.0074 0.0376 0.0629
Echinococcus multilocularis isocitrate dehydrogenase 0.0148 0.1079 0.2715
Schistosoma mansoni leucyl-tRNA synthetase 0.0173 0.1315 0.2201
Echinococcus multilocularis Smad4 0.0074 0.0376 0.0946
Echinococcus granulosus mothers against decapentaplegic 5 0.0074 0.0376 0.0946
Mycobacterium ulcerans leucyl-tRNA synthetase 0.0173 0.1315 0.3161
Echinococcus multilocularis GPCR, family 2 0.0307 0.259 0.6514
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0085 0.0143
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0148 0.1079 0.2555

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) = 1.77827941 uM 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
AC50 (functional) = 11.22018454 uM 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) = 11.22018454 uM 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) = 19.95262315 uM 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
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.575 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 25.1189 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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