Detailed information for compound 1308221

Basic information

Technical information
  • TDR Targets ID: 1308221
  • Name: N-(1,3-benzodioxol-5-ylmethyl)-2-([1,2,4]tria zolo[4,5-a]pyridin-3-ylsulfanyl)propanamide
  • MW: 356.399 | Formula: C17H16N4O3S
  • H donors: 1 H acceptors: 3 LogP: 3.07 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(Sc1nnc2n1cccc2)C)NCc1ccc2c(c1)OCO2
  • InChi: 1S/C17H16N4O3S/c1-11(25-17-20-19-15-4-2-3-7-21(15)17)16(22)18-9-12-5-6-13-14(8-12)24-10-23-13/h2-8,11H,9-10H2,1H3,(H,18,22)
  • InChiKey: MRJVFURHFFJDOW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,3-benzodioxol-5-ylmethyl)-2-([1,2,4]triazolo[4,5-a]pyridin-3-ylthio)propanamide
  • N-(1,3-benzodioxol-5-ylmethyl)-2-([1,2,4]triazolo[4,5-a]pyridin-3-ylthio)propionamide
  • MLS000771157
  • SMR000376054
  • T5555688

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.0526 0.0576
Schistosoma mansoni hypothetical protein 0.005 0.0156 0.0171
Mycobacterium ulcerans hypothetical protein 0.015 0.0565 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0038 0.0107 0.0117
Brugia malayi beta-lactamase family protein 0.0071 0.0242 0.2406
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.0526 0.0576
Toxoplasma gondii exonuclease III APE 0.0019 0.0027 0.0483
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0038 0.0107 0.401
Echinococcus granulosus hormone sensitive lipase 0.2247 0.9132 1
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0021 0.0039 0.0238
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.0526 0.0576
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0016 0.0016
Trypanosoma cruzi Alpha/beta hydrolase domain-containing protein 0.0038 0.0107 0.401
Loa Loa (eye worm) hypothetical protein 0.0048 0.0149 0.0145
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0027 0.0483
Trypanosoma brucei Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0038 0.0107 0.401
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0027 0.5
Trichomonas vaginalis Esterase, putative 0.0038 0.0107 0.1479
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0021 0.0039 0.0212
Trichomonas vaginalis Esterase, putative 0.0038 0.0107 0.1479
Brugia malayi hypothetical protein 0.0017 0.0021 0.0053
Onchocerca volvulus 0.0149 0.0562 0.7765
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0242 1
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0242 0.3991
Mycobacterium tuberculosis Conserved protein 0.0071 0.0242 0.1259
Plasmodium falciparum ornithine aminotransferase 0.0021 0.0039 0.5152
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.015 0.0565 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0153 0.0575 0.0613
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0021 0.0039 0.0125
Echinococcus granulosus Aminotransferase class III 0.0021 0.0039 0.0042
Schistosoma mansoni ap endonuclease 0.0019 0.0027 0.003
Loa Loa (eye worm) beta-lactamase 0.0071 0.0242 0.0248
Mycobacterium tuberculosis Putative acetyl hydrolase MbtJ 0.0038 0.0107 0.0505
Mycobacterium tuberculosis Probable lipase LipH 0.0038 0.0107 0.0505
Mycobacterium tuberculosis Probable esterase LipL 0.0071 0.0242 0.1259
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0107 0.1479
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 0.0526 0.0526
Mycobacterium tuberculosis Probable acetyl-hydrolase/esterase LipR 0.0038 0.0107 0.0505
Trypanosoma cruzi serine peptidase, Clan SC, Family S9D 0.0038 0.0107 0.401
Schistosoma mansoni hypothetical protein 0.0048 0.0149 0.0163
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.0242 1
Leishmania major hypothetical protein, conserved 0.0027 0.006 0.1921
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0021 0.0039 0.0212
Echinococcus granulosus GPCR family 2 0.0048 0.0149 0.0163
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.006 1
Schistosoma mansoni hypothetical protein 0.0338 0.1332 0.1458
Loa Loa (eye worm) hypothetical protein 0.0181 0.0693 0.0742
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0242 0.0265
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0038 0.0107 0.401
Echinococcus multilocularis hormone sensitive lipase 0.2247 0.9132 0.9132
Loa Loa (eye worm) hypothetical protein 0.0027 0.006 0.0048
Loa Loa (eye worm) hypothetical protein 0.0149 0.0562 0.0598
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0071 0.0242 0.1259
Trichomonas vaginalis Esterase, putative 0.0038 0.0107 0.1479
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0149 0.0145
Brugia malayi hypothetical protein 0.0027 0.006 0.0462
Mycobacterium tuberculosis Probable hydrolase 0.0071 0.0242 0.1259
Loa Loa (eye worm) hypothetical protein 0.0153 0.0575 0.0613
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.006 0.1921
Mycobacterium ulcerans esterase/lipase 0.0038 0.0107 0.1479
Mycobacterium ulcerans membrane-bound esterase LipM 0.0038 0.0107 0.1479
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.006 0.1921
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0071 0.0242 0.3991
Brugia malayi hypothetical protein 0.0036 0.0099 0.0884
Echinococcus multilocularis ornithine aminotransferase 0.0021 0.0039 0.0039
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0455 0.1808 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 0.0526 0.0526
Schistosoma mansoni survival motor neuron protein 0.005 0.0156 0.0171
Onchocerca volvulus 0.0071 0.0242 0.2308
Schistosoma mansoni hypothetical protein 0.0048 0.0149 0.0163
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.006 0.1921
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0016 0.0018
Mycobacterium ulcerans acetyl hydrolase MbtJ 0.0038 0.0107 0.1479
Loa Loa (eye worm) hypothetical protein 0.0104 0.0378 0.0397
Mycobacterium ulcerans lipase LipD 0.0071 0.0242 0.3991
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0027 0.003
Loa Loa (eye worm) hypothetical protein 0.0246 0.0954 0.1029
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0027 0.0116
Mycobacterium ulcerans acetylornithine aminotransferase 0.0021 0.0039 0.0212
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0242 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0242 0.0248
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0027 0.0483
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0149 0.1412
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0149 0.0149
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0242 0.0265
Mycobacterium tuberculosis Probable lipase LipE 0.0071 0.0242 0.1259
Brugia malayi beta-lactamase family protein 0.0071 0.0242 0.2406
Brugia malayi hypothetical protein 0.0149 0.0562 0.5814
Mycobacterium ulcerans hypothetical protein 0.0038 0.0107 0.1479
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0141 0.0526 0.5431
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0027 0.0483
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 0.0526 0.0576
Mycobacterium leprae conserved hypothetical protein 0.0071 0.0242 0.3861
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0242 0.3991
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0242 0.3991
Plasmodium vivax ornithine aminotransferase, putative 0.0021 0.0039 0.099
Mycobacterium leprae Probable lipase LipE 0.0071 0.0242 0.3861
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0149 0.1412
Plasmodium vivax hypothetical protein, conserved 0.0071 0.0242 1
Echinococcus multilocularis survival motor neuron protein 1 0.0246 0.0954 0.0954
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0016 0.0016
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0016 0.0016
Mycobacterium ulcerans lipase LipH 0.0038 0.0107 0.1479
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.2247 0.9132 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0242 0.0248
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0038 0.0107 0.401
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0016 0.0016
Mycobacterium ulcerans L-lysine aminotransferase 0.0021 0.0039 0.0212
Loa Loa (eye worm) hypothetical protein 0.0071 0.0242 0.0248
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0099 0.0109
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0071 0.0242 0.1259
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0021 0.0039 0.5
Schistosoma mansoni ap endonuclease 0.0019 0.0027 0.003
Echinococcus granulosus survival motor neuron protein 1 0.0246 0.0954 0.1045
Leishmania major ecotin, putative 0.0038 0.0107 0.401
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.006 0.1921
Brugia malayi aryl-acylamidase 0.0038 0.0107 0.0965
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0027 0.0483
Echinococcus multilocularis geminin 0.0338 0.1332 0.1332
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0021 0.0039 0.0125
Echinococcus multilocularis ornithine aminotransferase 0.0021 0.0039 0.0039
Schistosoma mansoni hypothetical protein 0.0036 0.0099 0.0109
Mycobacterium tuberculosis Conserved protein 0.0071 0.0242 0.1259
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0242 0.3991
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0071 0.0242 0.1259
Echinococcus multilocularis GPCR, family 2 0.0048 0.0149 0.0149
Echinococcus granulosus ornithine aminotransferase 0.0021 0.0039 0.0042
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0027 0.0483
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0141 0.0526 0.0559
Brugia malayi hypothetical protein 0.0246 0.0954 1
Schistosoma mansoni hypothetical protein 0.0338 0.1332 0.1458
Brugia malayi Calcitonin receptor-like protein seb-1 0.0153 0.0575 0.5958
Onchocerca volvulus 0.005 0.0156 0.0838
Entamoeba histolytica hypothetical protein 0.0036 0.0099 1
Mycobacterium ulcerans lipase LipU 0.0038 0.0107 0.1479
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0021 0.0039 0.0125
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0242 0.3991
Mycobacterium tuberculosis Probable lipase/esterase LipN 0.0038 0.0107 0.0505
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.0242 0.0265
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0021 0.0039 0.099
Mycobacterium ulcerans carboxylesterase LipQ 0.0038 0.0107 0.1479
Loa Loa (eye worm) hypothetical protein 0.0071 0.0242 0.0248
Entamoeba histolytica hypothetical protein 0.0036 0.0099 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.015 0.0565 0.3064
Brugia malayi N-terminal motif family protein 0.0181 0.0693 0.721
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0027 0.0027
Mycobacterium ulcerans lipase/esterase LipN 0.0038 0.0107 0.1479
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0021 0.0039 1
Schistosoma mansoni hypothetical protein 0.0048 0.0149 0.0163
Mycobacterium tuberculosis Possible esterase LipW 0.0038 0.0107 0.0505
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0021 0.0039 0.0125
Echinococcus granulosus geminin 0.0338 0.1332 0.1458
Mycobacterium ulcerans esterase LipW 0.0038 0.0107 0.1479
Onchocerca volvulus 0.0071 0.0242 0.2308
Loa Loa (eye worm) ammd protein 0.0038 0.0107 0.0099
Loa Loa (eye worm) hypothetical protein 0.0071 0.0242 0.0248
Schistosoma mansoni hypothetical protein 0.0048 0.0149 0.0163
Leishmania major hypothetical protein, conserved 0.0071 0.0242 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.006 1
Entamoeba histolytica hypothetical protein 0.0036 0.0099 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0027 0.0061
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.2247 0.9132 1
Mycobacterium ulcerans esterase/lipase LipP 0.0071 0.0242 0.3991
Mycobacterium ulcerans lipase LipU 0.0038 0.0107 0.1479
Schistosoma mansoni hypothetical protein 0.0104 0.0378 0.0414
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.2247 0.9132 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0149 0.0163
Brugia malayi beta-lactamase 0.0071 0.0242 0.2406
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0021 0.0039 0.0212
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0149 0.0163
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.0242 0.0248
Loa Loa (eye worm) hypothetical protein 0.2247 0.9132 1
Mycobacterium leprae Possible lipase LipU 0.0038 0.0107 0.1294
Toxoplasma gondii ABC1 family protein 0.0071 0.0242 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0099 0.0109
Mycobacterium tuberculosis Probable aminotransferase 0.015 0.0565 0.3064
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0021 0.0039 0.0042
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.006 0.1921
Mycobacterium tuberculosis Probable esterase LipM 0.0038 0.0107 0.0505
Loa Loa (eye worm) hypothetical protein 0.0071 0.0242 0.0248
Mycobacterium ulcerans esterase LipO 0.0038 0.0107 0.1479
Entamoeba histolytica hypothetical protein 0.0036 0.0099 1
Treponema pallidum N-acetylphosphinothricin-tripetide-deacetylase 0.0038 0.0107 1
Mycobacterium tuberculosis Probable carboxylesterase LipQ 0.0038 0.0107 0.0505
Trichomonas vaginalis esterase, putative 0.0071 0.0242 0.3991
Mycobacterium tuberculosis Probable esterase LipO 0.0038 0.0107 0.0505
Mycobacterium tuberculosis Probable esterase/lipase LipF 0.0038 0.0107 0.0505
Loa Loa (eye worm) aryl-acylamidase 0.0038 0.0107 0.0099
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0099 0.0099
Mycobacterium ulcerans lipase LipI 0.0038 0.0107 0.1479
Mycobacterium tuberculosis Probable non lipolytic carboxylesterase NlhH 0.0038 0.0107 0.0505
Mycobacterium ulcerans esterase LipC 0.0038 0.0107 0.1479
Onchocerca volvulus 0.0071 0.0242 0.2308
Mycobacterium tuberculosis Possible lipase LipU 0.0038 0.0107 0.0505
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0016 0.0016
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0021 0.0039 0.0212
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0038 0.0107 0.401
Mycobacterium ulcerans hypothetical protein 0.0071 0.0242 0.3991
Mycobacterium tuberculosis Conserved protein 0.0071 0.0242 0.1259
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0027 0.0012
Mycobacterium tuberculosis Probable lipase LipD 0.0071 0.0242 0.1259
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.0242 0.0242
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0181 0.0693 1
Leishmania major hypothetical protein, conserved 0.0038 0.0107 0.401
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.015 0.0565 1
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.015 0.0565 1
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.0378 0.3854
Mycobacterium tuberculosis Probable esterase LipC 0.0038 0.0107 0.0505
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0149 0.0149
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 0.0526 0.0576
Echinococcus multilocularis Aminotransferase class III 0.0021 0.0039 0.0039
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0027 0.2516
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0156 0.1488
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0016 0.0018
Mycobacterium ulcerans beta-lactamase 0.0071 0.0242 0.3991
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0153 0.0575 0.5958
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.0242 0.2406

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0033 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) 1.1582 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.6511 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) 10 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 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) 100 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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