Detailed information for compound 1515522

Basic information

Technical information
  • TDR Targets ID: 1515522
  • Name: ethyl 2-[4-(4-tert-butylphenyl)-3-methyl-5-ox o-1,2,4-triazol-1-yl]acetate
  • MW: 317.383 | Formula: C17H23N3O3
  • H donors: 0 H acceptors: 2 LogP: 3.08 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)Cn1nc(n(c1=O)c1ccc(cc1)C(C)(C)C)C
  • InChi: 1S/C17H23N3O3/c1-6-23-15(21)11-19-16(22)20(12(2)18-19)14-9-7-13(8-10-14)17(3,4)5/h7-10H,6,11H2,1-5H3
  • InChiKey: SCEJZQBPMAYKEW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetic acid ethyl ester
  • 2-[4-(4-tert-butylphenyl)-5-keto-3-methyl-1,2,4-triazol-1-yl]acetic acid ethyl ester
  • ethyl 2-[4-(4-tert-butylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]ethanoate
  • SMR000180333
  • ethyl 2-{4-[4-(tert-butyl)phenyl]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate
  • ZINC01402302
  • 10W-0873
  • MLS000547235

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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 japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, 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
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
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
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 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0061 0.0194 0.0194
Brugia malayi acetyltransferase, GNAT family protein 0.0145 0.0529 0.0529
Onchocerca volvulus 0.0542 0.2112 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0121 0.0148
Schistosoma mansoni cript-related 0.0021 0.0033 0.0033
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0286 0.109 0.109
Echinococcus granulosus geminin 0.0533 0.2075 0.2075
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1506 0.5954 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0258 0.0979 0.1597
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.025 0.1327
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0075 0.025 0.0217
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.025 0.1327
Toxoplasma gondii exonuclease III APE 0.0102 0.0358 0.0549
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0107 0.2264
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0102 0.0358 0.0549
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0121 0.0121
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0107 0.0124
Schistosoma mansoni carbon catabolite repressor protein 0.0021 0.0033 0.0033
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0107 0.2983
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0286 0.109 0.109
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 0.0529 0.0529
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0021 0.0033 0.0929
Trichomonas vaginalis sphingomyelinase C 2 precursor, putative 0.0021 0.0033 0.0177
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0021 0.0033 0.0929
Echinococcus multilocularis thymidylate synthase 0.0542 0.2112 0.2112
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0021 0.0033 0.0929
Entamoeba histolytica sphingomyelinase C precursor, putative 0.0021 0.0033 0.0929
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0102 0.0358 0.5
Brugia malayi beta-lactamase family protein 0.0075 0.025 0.025
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.025 0.025
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0021 0.0033 0.0177
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1506 0.5954 1
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0021 0.0033 0.0033
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.025 0.025
Trichomonas vaginalis skeletal muscle/kidney enriched inositol 5-phosphatase, putative 0.0021 0.0033 0.0177
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0021 0.0033 0.0177
Brugia malayi CCR4 0.0021 0.0033 0.0033
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.025 0.025
Brugia malayi Pre-SET motif family protein 0.0425 0.1647 0.1647
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0021 0.0033 0.0033
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0478 0.1859 0.1832
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0542 0.2112 0.191
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0286 0.109 0.109
Mycobacterium tuberculosis Conserved protein 0.0075 0.025 0.0217
Schistosoma mansoni synaptojanin 0.0021 0.0033 0.0033
Onchocerca volvulus 0.0075 0.025 0.1182
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0021 0.0033 0.0033
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0542 0.2112 0.2085
Onchocerca volvulus 0.0021 0.0033 0.0158
Schistosoma mansoni ap endonuclease 0.0102 0.0358 0.0358
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0102 0.0358 0.0112
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0021 0.0033 0.0033
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0021 0.0033 0.0929
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1506 0.5954 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.025 0.025
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.025 0.1327
Mycobacterium tuberculosis Probable esterase LipL 0.0075 0.025 0.0217
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0061 0.0194 0.0194
Mycobacterium tuberculosis Probable lipase LipD 0.0075 0.025 0.0217
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0021 0.0033 0.0033
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0021 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0021 0.0033 0.0033
Echinococcus multilocularis traf and tnf receptor associated protein 0.0021 0.0033 0.0033
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0021 0.0033 0.0033
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0286 0.109 0.109
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0021 0.0033 0.0033
Loa Loa (eye worm) acetyltransferase 0.0145 0.0529 0.0529
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0286 0.109 0.109
Schistosoma mansoni neutral sphingomyelinase 0.0021 0.0033 0.0033
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0021 0.0033 0.0033
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0194 0.0194
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.0169 0.0169
Echinococcus multilocularis geminin 0.0533 0.2075 0.2075
Trichomonas vaginalis ocrl type II inositol 5-phosphatase, putative 0.0021 0.0033 0.0177
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0059 0.0185 0.0185
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0021 0.0033 0.0033
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0021 0.0033 0.0929
Plasmodium vivax SET domain protein, putative 0.0061 0.0194 0.0272
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0102 0.0358 0.0358
Loa Loa (eye worm) hypothetical protein 0.0061 0.0194 0.0194
Echinococcus granulosus neutral sphingomyelinase 0.0021 0.0033 0.0033
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0121 0.0148
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1659 0.6566 0.6566
Onchocerca volvulus 0.0061 0.0194 0.092
Brugia malayi hypothetical protein 0.0258 0.0979 0.0979
Schistosoma mansoni hypothetical protein 0.0533 0.2075 0.2075
Loa Loa (eye worm) hypothetical protein 0.0075 0.025 0.025
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.025 0.0365
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0286 0.109 0.109
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0021 0.0033 0.0033
Echinococcus granulosus traf and tnf receptor associated protein 0.0021 0.0033 0.0033
Onchocerca volvulus 0.0075 0.025 0.1182
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0061 0.0194 0.0272
Trichomonas vaginalis Phospholipase C precursor, putative 0.0021 0.0033 0.0177
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0286 0.109 0.109
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0061 0.0194 0.0194
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0021 0.0033 0.0033
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0194 0.0194
Loa Loa (eye worm) hypothetical protein 0.0021 0.0033 0.0033
Schistosoma mansoni nocturnin 0.0021 0.0033 0.0033
Schistosoma mansoni synaptojanin 0.0021 0.0033 0.0033
Onchocerca volvulus Putative neutral sphingomyelinase 0.0021 0.0033 0.0158
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.025 0.0365
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0102 0.0358 0.0326
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0102 0.0358 0.0549
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0021 0.0033 0.0929
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0425 0.1647 0.1647
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0286 0.109 0.109
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0102 0.0358 0.0358
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0021 0.0033 0.0033
Brugia malayi Pre-SET motif family protein 0.0061 0.0194 0.0194
Schistosoma mansoni ap endonuclease 0.0102 0.0358 0.0358
Echinococcus granulosus histone lysine methyltransferase setb 0.0061 0.0194 0.0194
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0075 0.025 0.0217
Brugia malayi Cytochrome P450 family protein 0.0055 0.0169 0.0169
Onchocerca volvulus 0.0484 0.1882 0.891
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0021 0.0033 0.0033
Echinococcus multilocularis deoxyribonuclease 1 2 0.0021 0.0033 0.0033
Brugia malayi thymidylate synthase 0.0542 0.2112 0.2112
Leishmania major hypothetical protein, conserved 0.0075 0.025 0.0365
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0102 0.0358 0.0549
Trichomonas vaginalis conserved hypothetical protein 0.0258 0.0979 0.5203
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0542 0.2112 0.2112
Loa Loa (eye worm) hypothetical protein 0.0075 0.025 0.025
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0021 0.0033 0.0033
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0102 0.0358 0.0549
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1506 0.5954 1
Trichomonas vaginalis set domain proteins, putative 0.0484 0.1882 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1506 0.5954 1
Brugia malayi exodeoxyribonuclease III family protein 0.0102 0.0358 0.0358
Echinococcus multilocularis synaptojanin 1 0.0021 0.0033 0.0033
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0021 0.0033 0.0033
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.025 0.1327
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0102 0.0358 1
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0021 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0021 0.0033 0.0033
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.025 0.0365
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0021 0.0033 0.0033
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0102 0.0358 0.0358
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0021 0.0033 0.0033
Plasmodium vivax hypothetical protein, conserved 0.0075 0.025 0.0365
Loa Loa (eye worm) thymidylate synthase 0.0542 0.2112 0.2112
Entamoeba histolytica inositol polyphosphate-5-phosphatase, putative 0.0021 0.0033 0.0929
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0021 0.0033 0.0929
Schistosoma mansoni hypothetical protein 0.0533 0.2075 0.2075
Trichomonas vaginalis esterase, putative 0.0075 0.025 0.1327
Brugia malayi beta-lactamase 0.0075 0.025 0.025
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.025 0.025
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0121 0.0644
Trichomonas vaginalis type II inositol 5-phosphatase, putative 0.0021 0.0033 0.0177
Mycobacterium tuberculosis Probable hydrolase 0.0075 0.025 0.0217
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.025 0.1327
Echinococcus granulosus synaptojanin 1 0.0021 0.0033 0.0033
Schistosoma mansoni hypothetical protein 0.0021 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0021 0.0033 0.0033
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0194 0.0194
Trichomonas vaginalis type IV inositol 5-phosphatase, putative 0.0021 0.0033 0.0177
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.025 0.025
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0102 0.0358 0.0549
Mycobacterium tuberculosis Probable lipase LipE 0.0075 0.025 0.0217
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 0.0529 0.0529
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0121 0.0644
Echinococcus multilocularis neutral sphingomyelinase 0.0021 0.0033 0.0033
Mycobacterium tuberculosis Hypothetical protein 0.0258 0.0979 0.0949
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.025 0.025
Onchocerca volvulus 0.0075 0.025 0.1182
Mycobacterium tuberculosis Conserved protein 0.0075 0.025 0.0217
Onchocerca volvulus 0.0021 0.0033 0.0158
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0021 0.0033 0.0177
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0102 0.0358 0.0549
Treponema pallidum exodeoxyribonuclease (exoA) 0.0102 0.0358 1
Trichomonas vaginalis ap endonuclease, putative 0.0102 0.0358 0.1905
Loa Loa (eye worm) hypothetical protein 0.0075 0.025 0.025
Loa Loa (eye worm) beta-lactamase 0.0075 0.025 0.025
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0075 0.025 0.0217
Toxoplasma gondii ABC1 family protein 0.0075 0.025 0.0365
Loa Loa (eye worm) hypothetical protein 0.0075 0.025 0.025
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.0513 0.0513
Brugia malayi beta-lactamase family protein 0.0075 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0075 0.025 0.025
Trichomonas vaginalis ap endonuclease, putative 0.0102 0.0358 0.1905
Leishmania major dihydrofolate reductase-thymidylate synthase 0.1506 0.5954 1
Echinococcus granulosus thymidylate synthase 0.0542 0.2112 0.2112
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0286 0.109 0.109
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0021 0.0033 0.0033
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0121 0.0148
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0021 0.0033 0.0033
Mycobacterium ulcerans thymidylate synthase 0.0542 0.2112 0.191
Mycobacterium tuberculosis Conserved protein 0.0075 0.025 0.0217
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0102 0.0358 1
Entamoeba histolytica inositol polyphosphate 5-phosphatase, putative 0.0021 0.0033 0.0929
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0021 0.0033 0.0929
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0021 0.0033 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-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-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-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 5.011872336 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
AC50 (functional) = 10 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
Potency (functional) 0.0046 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
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 (functional) 8.2753 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) 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

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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