Detailed information for compound 1429457

Basic information

Technical information
  • TDR Targets ID: 1429457
  • Name: N-[(4-methoxyphenyl)methyl]-2-([1,3]thiazolo[ 5,4-b]pyridin-2-ylsulfanyl)acetamide
  • MW: 345.439 | Formula: C16H15N3O2S2
  • H donors: 1 H acceptors: 3 LogP: 3.3 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CNC(=O)CSc1nc2c(s1)nccc2
  • InChi: 1S/C16H15N3O2S2/c1-21-12-6-4-11(5-7-12)9-18-14(20)10-22-16-19-13-3-2-8-17-15(13)23-16/h2-8H,9-10H2,1H3,(H,18,20)
  • InChiKey: DYZBVHSZWXIDDQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(4-methoxyphenyl)methyl]-2-thiazolo[5,4-b]pyridin-2-ylsulfanyl-acetamide
  • N-[(4-methoxyphenyl)methyl]-2-(2-thiazolo[5,4-b]pyridinylthio)acetamide
  • N-(4-methoxybenzyl)-2-(thiazolo[5,4-b]pyridin-2-ylthio)acetamide
  • N-[(4-methoxyphenyl)methyl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanamide
  • Oprea1_353435
  • ZINC04335987
  • Maybridge3_005172
  • MLS000861444
  • N1-(4-methoxybenzyl)-2-(pyrido[3,2-d][1,3]thiazol-2-ylthio)acetamide
  • SMR000460228
  • IDI1_016559

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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 Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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 %
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
Toxoplasma gondii LsmAD domain-containing protein 0.0022 0.0077 0.0288
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.0919 0.903
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.0617 0.0832
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0074 0.0082
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0215 0.1993
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0025 0.0096 0.0548
Loa Loa (eye worm) hypothetical protein 0.005 0.0283 0.3081
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0172 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0234 0.2183
Loa Loa (eye worm) hypothetical protein 0.0022 0.0077 0.0758
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0172 0.1033
Echinococcus multilocularis geminin 0.0149 0.1017 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.0617 0.601
Mycobacterium ulcerans beta-lactamase 0.0035 0.0172 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0025 0.0096 0.478
Brugia malayi beta-lactamase 0.0035 0.0172 0.0217
Loa Loa (eye worm) hypothetical protein 0.004 0.0206 0.2217
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0172 0.1561
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0172 0.1033
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0215 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0172 0.1033
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0019 0.0052 0.1709
Brugia malayi Calcitonin receptor-like protein seb-1 0.0044 0.0237 0.0307
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0023 0.008 0.0445
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0373 0.2668 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0077 0.0204
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0321 0.3054
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0321 0.351
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.0617 0.601
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0172 0.1832
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0035 0.0202
Schistosoma mansoni hypothetical protein 0.002 0.0061 0.0459
Schistosoma mansoni hypothetical protein 0.0149 0.1017 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0172 0.1566
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0035 0.0202
Brugia malayi hypothetical protein 0.0022 0.0077 0.0085
Mycobacterium leprae Polyketide synthase Pks13 0.0035 0.0171 0.9936
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0035 0.0202
Schistosoma mansoni zinc finger protein 0.0019 0.0054 0.0383
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0075 0.0597
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0234 0.2183
Mycobacterium ulcerans hypothetical protein 0.0035 0.0172 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0172 0.1832
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0025 0.0096 0.478
Loa Loa (eye worm) beta-lactamase 0.0035 0.0172 0.1832
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0172 1
Mycobacterium ulcerans polyketide synthase 0.0023 0.0086 0.4039
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0025 0.0096 0.478
Schistosoma mansoni hypothetical protein 0.0149 0.1017 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0035 0.0202
Schistosoma mansoni hypothetical protein 0.0039 0.0204 0.1884
Echinococcus multilocularis zinc finger protein 0.0019 0.0054 0.0383
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0035 0.0171 0.1027
Mycobacterium ulcerans thioesterase TesA 0.002 0.0057 0.2051
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0234 0.2183
Mycobacterium tuberculosis Conserved protein 0.0035 0.0172 0.1033
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0044 0.0237 0.2567
Loa Loa (eye worm) hypothetical protein 0.0037 0.0189 0.2025
Loa Loa (eye worm) hypothetical protein 0.0133 0.0897 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0035 0.0202
Echinococcus multilocularis protein dispatched 1 0.0047 0.0258 0.242
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0023 0.0086 0.0097
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0023 0.008 0.0445
Loa Loa (eye worm) hypothetical protein 0.0039 0.0203 0.2183
Loa Loa (eye worm) hypothetical protein 0.0035 0.0172 0.1832
Echinococcus multilocularis protein patched 0.0041 0.0215 0.1993
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0172 0.0368
Giardia lamblia Telomerase catalytic subunit 0.0373 0.2668 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0172 0.1832
Brugia malayi beta-lactamase family protein 0.0035 0.0172 0.0217
Onchocerca volvulus Fatty acid synthase homolog 0.0042 0.0225 0.0151
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0172 0.1033
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0023 0.0086 0.0479
Loa Loa (eye worm) hypothetical protein 0.0069 0.0422 0.4653
Plasmodium vivax telomerase reverse transcriptase, putative 0.0373 0.2668 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0019 0.0052 0.1709
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0215 0.1993
Mycobacterium ulcerans polyketide synthase 0.0025 0.0096 0.478
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0023 0.0086 0.4039
Loa Loa (eye worm) fatty acid synthase 0.0023 0.0083 0.0832
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0215 0.2314
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0321 0.0423
Loa Loa (eye worm) hypothetical protein 0.0095 0.0617 0.6846
Brugia malayi beta-lactamase family protein 0.0035 0.0172 0.0217
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.1571 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0035 0.0202
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0172 0.1033
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0019 0.0054 0.0277
Schistosoma mansoni zinc finger protein 0.0015 0.0023 0.0075
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0075 0.0597
Onchocerca volvulus 0.0041 0.0214 0.0141
Leishmania major hypothetical protein, conserved 0.0022 0.0077 0.0204
Toxoplasma gondii RNA-directed DNA polymerase 0.0373 0.2668 1
Brugia malayi PHD-finger family protein 0.0024 0.0092 0.0106
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0373 0.2668 1
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0035 0.0171 0.1027
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0172 0.1033
Schistosoma mansoni hypothetical protein 0.0015 0.0023 0.0075
Mycobacterium ulcerans thioesterase 0.002 0.0057 0.2051
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0077 0.0204
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0022 0.0074 0.0406
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0172 0.1561
Loa Loa (eye worm) latrophilin receptor protein 2 0.0014 0.0015 0.0065
Brugia malayi hypothetical protein 0.0133 0.0897 0.122
Brugia malayi hypothetical protein 0.0043 0.0234 0.0302
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0035 0.0202
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0025 0.0096 0.478
Toxoplasma gondii type I fatty acid synthase, putative 0.0025 0.0096 0.0361
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0019 0.0052 0.1709
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0321 0.3054
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0172 0.1566
Loa Loa (eye worm) hypothetical protein 0.0041 0.0215 0.2314
Toxoplasma gondii ABC1 family protein 0.0035 0.0172 0.0645
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0343 0.3273
Schistosoma mansoni hypothetical protein 0.0039 0.0204 0.1884
Schistosoma mansoni hypothetical protein 0.0039 0.0204 0.1884
Loa Loa (eye worm) hypothetical protein 0.0042 0.022 0.2372
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0172 0.0564
Echinococcus granulosus geminin 0.0149 0.1017 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0321 0.3054
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0172 1
Schistosoma mansoni hypothetical protein 0.003 0.0135 0.1191
Onchocerca volvulus 0.0035 0.0172 0.0099
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0343 0.3273
Loa Loa (eye worm) hypothetical protein 0.0035 0.0172 0.1832
Echinococcus granulosus expressed conserved protein 0.0089 0.0574 0.5584
Schistosoma mansoni hypothetical protein 0.0039 0.0204 0.1884
Loa Loa (eye worm) hypothetical protein 0.003 0.0135 0.1409
Loa Loa (eye worm) hypothetical protein 0.0017 0.0035 0.0293
Schistosoma mansoni bromodomain containing protein 0.0062 0.0369 0.3531
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0172 0.0564
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0321 0.3054
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0015 0.0025 0.0093
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0321 0.3054
Schistosoma mansoni hypothetical protein 0.0043 0.0234 0.2183
Trypanosoma brucei PAB1-binding protein , putative 0.0022 0.0077 0.0204
Onchocerca volvulus 0.0035 0.0172 0.0099
Brugia malayi Bromodomain containing protein 0.0037 0.0189 0.024
Onchocerca volvulus 0.0035 0.0172 0.0099
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0044 0.0237 0.0307
Brugia malayi CHE-14 protein 0.0041 0.0215 0.0276
Loa Loa (eye worm) hypothetical protein 0.0035 0.0172 0.1832
Mycobacterium tuberculosis Conserved protein 0.0035 0.0172 0.1033
Mycobacterium leprae Probable polyketide synthase Pks1 0.0025 0.0096 0.478
Mycobacterium leprae Probable lipase LipE 0.0035 0.0172 1
Onchocerca volvulus 0.0133 0.0897 0.0829
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0023 0.0086 0.4039
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0023 0.0086 0.0479
Leishmania major hypothetical protein, conserved 0.0035 0.0172 0.0564
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0075 0.0597
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0065
Toxoplasma gondii type I fatty acid synthase, putative 0.0017 0.0036 0.0134
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0215 0.1993
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0035 0.0202
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0025 0.0096 0.0548
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0172 0.1566
Loa Loa (eye worm) hypothetical protein 0.0044 0.0237 0.2567
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0321 0.3054
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.002 0.0057 0.2051
Brugia malayi Bromodomain containing protein 0.0073 0.0453 0.0606
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0022 0.0074 0.0729
Mycobacterium tuberculosis Probable thioesterase TesA 0.002 0.0057 0.0294
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0172 0.0564
Loa Loa (eye worm) hypothetical protein 0.0035 0.0172 0.1832
Schistosoma mansoni patched 1 0.0041 0.0215 0.1993
Mycobacterium ulcerans lipase LipD 0.0035 0.0172 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.0617 1
Plasmodium falciparum telomerase reverse transcriptase 0.0373 0.2668 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0023 0.0086 0.4039
Brugia malayi Telomerase reverse transcriptase 0.0991 0.7245 1
Brugia malayi hypothetical protein 0.0014 0.0019 0.0005
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0172 0.1033
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0172 0.1566
Brugia malayi latrophilin 2 splice variant baaae 0.003 0.0135 0.0165
Echinococcus granulosus zinc finger protein 0.0019 0.0054 0.0383
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.004 0.0343
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.0919 0.903
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0172 0.0217
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.0628 0.6119
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0061 0.0584
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0023 0.0086 0.0479
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0321 0.3054
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0025 0.0096 0.0548
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0044 0.0241 0.0312
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0023 0.0086 0.4039
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0172 0.1033
Echinococcus multilocularis expressed conserved protein 0.0089 0.0574 0.5584
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0017 0.0037 0.0166
Mycobacterium ulcerans polyketide synthase Pks13 0.0035 0.0171 0.9936
Mycobacterium ulcerans Type I modular polyketide synthase 0.0023 0.0086 0.4039
Leishmania major telomerase reverse transcriptase, putative 0.0373 0.2668 1
Trypanosoma brucei telomerase reverse transcriptase 0.0373 0.2668 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0023 0.0086 0.4039

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 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) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8584 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) 7.0795 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3225 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 39.8107 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) 89.1251 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) 112.2018 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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