Detailed information for compound 1413510

Basic information

Technical information
  • TDR Targets ID: 1413510
  • Name: 2-(4-hydroxy-3-methoxyphenyl)-3-phenyl-1,2-di hydroquinazolin-4-one
  • MW: 346.379 | Formula: C21H18N2O3
  • H donors: 2 H acceptors: 2 LogP: 3.94 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1O)C1Nc2ccccc2C(=O)N1c1ccccc1
  • InChi: 1S/C21H18N2O3/c1-26-19-13-14(11-12-18(19)24)20-22-17-10-6-5-9-16(17)21(25)23(20)15-7-3-2-4-8-15/h2-13,20,22,24H,1H3
  • InChiKey: JKMUFUCTAIMTBL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-hydroxy-3-methoxy-phenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
  • Oprea1_297697
  • 2-(4-Hydroxy-3-methoxy-phenyl)-3-phenyl-2,3-dihydro-1H-quinazolin-4-one
  • MLS000550999
  • SMR000145127
  • STOCK1S-88522

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) 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
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni bromodomain containing protein 0.0076 0.0667 0.0917
Brugia malayi Pre-SET motif family protein 0.0036 0.025 0.0343
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.025 0.025
Onchocerca volvulus 0.0036 0.025 0.0343
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0385 0.3857 0.5302
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0517 0.0711
Loa Loa (eye worm) hypothetical protein 0.0085 0.076 0.1045
Trypanosoma cruzi ISWI complex protein 0.0018 0.0068 0.0177
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0326 0.0448
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0853 1
Echinococcus granulosus replication factor c subunit 1 0.0012 0.00000034704 0.00000047712
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0517 0.0517
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0853 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0159 0.0159
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0853 1
Brugia malayi Bromodomain containing protein 0.0046 0.0355 0.0488
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0622 0.0856
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0098 0.0134
Trypanosoma brucei C-8 sterol isomerase, putative 0.0385 0.3857 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0463 0.0636
Loa Loa (eye worm) hypothetical protein 0.0385 0.3857 0.5302
Entamoeba histolytica hypothetical protein 0.0043 0.0326 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1992 0.6425
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1992 0.6425
Brugia malayi PHD-finger family protein 0.003 0.0188 0.0259
Brugia malayi Bromodomain containing protein 0.0091 0.0813 0.1118
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0622 0.0622
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0716 0.7274 1
Trypanosoma brucei ISWI complex protein 0.0018 0.0068 0.0177
Schistosoma mansoni hypothetical protein 0.0025 0.0135 0.0185
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1992 0.6425
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0853 0.1173
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0159 0.0218
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0033 0.0213 0.2501
Loa Loa (eye worm) hypothetical protein 0.0057 0.0463 0.0636
Toxoplasma gondii ATPase, AAA family protein 0.0012 0.00000034704 0.0000040669
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0463 0.0636
Trichomonas vaginalis replication factor C large subunit, putative 0.0012 0.00000034704 0.0000011191
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3101 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.3101 0.4263
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1992 0.6425
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0033 0.0213 0.2501
Loa Loa (eye worm) hypothetical protein 0.0094 0.0853 0.1173
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.00000034704 0.0000011191
Schistosoma mansoni zinc finger protein 0.0018 0.0068 0.0094
Brugia malayi Pre-SET motif family protein 0.0251 0.2475 0.3403
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.0517 0.6059
Toxoplasma gondii hypothetical protein 0.0033 0.0213 0.2501
Loa Loa (eye worm) hypothetical protein 0.0046 0.0356 0.049
Trypanosoma cruzi ISWI complex protein 0.0018 0.0068 0.0177
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3101 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0853 1
Giardia lamblia Replication factor C, subunit 1 0.0012 0.00000034704 0.5
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2834 0.9139
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0159 0.0218
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0853 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.009 0.0124
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0385 0.3857 1
Echinococcus multilocularis zinc finger protein 0.0024 0.0121 0.0121
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0326 0.0448
Schistosoma mansoni hypothetical protein 0.0018 0.0068 0.0094
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.0853 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0326 0.0326
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0853 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.009 0.0124
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0236 0.0325
Schistosoma mansoni hypothetical protein 0.0043 0.0326 0.0448
Entamoeba histolytica hypothetical protein 0.0043 0.0326 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0463 0.0463
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2106 0.6792
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.0517 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3101 1
Schistosoma mansoni zinc finger protein 0.0024 0.0121 0.0167
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.3101 0.4263
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0853 0.1173
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0853 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.0517 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0853 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.00000034704 0.0000011191
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2475 0.3403
Loa Loa (eye worm) hypothetical protein 0.0197 0.1911 0.2628
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2106 0.6792
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0853 0.0853
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.009 0.009
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3101 1
Brugia malayi Probable ClpP-like protease 0.0094 0.0853 0.1173
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3101 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1992 0.6425
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0326 0.0448
Echinococcus granulosus vesicular acetylcholine transporter 0.0716 0.7274 1
Schistosoma mansoni vesicular acetylcholine transporter 0.0716 0.7274 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.025 0.0343
Loa Loa (eye worm) hypothetical protein 0.0052 0.0409 0.0563
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1992 0.6425
Leishmania major C-8 sterol isomerase-like protein 0.0385 0.3857 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0213 0.2501
Plasmodium vivax SET domain protein, putative 0.0036 0.025 0.2927
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0853 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3101 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0463 0.0636
Brugia malayi vesicular acetylcholine transporter unc-17 0.0716 0.7274 1
Echinococcus granulosus zinc finger protein 0.0024 0.0121 0.0167
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0853 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0386 0.053
Schistosoma mansoni chromosome transmission fidelity factor 0.0012 0.00000034704 0.00000047712
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0326 0.0326
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0716 0.7274 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.025 0.2927
Brugia malayi hypothetical protein 0.0043 0.0326 0.0448
Echinococcus multilocularis replication factor c subunit 1 0.0012 0.00000034704 0.00000034704
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.025 0.0343
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0135 0.0185
Echinococcus multilocularis vesicular acetylcholine transporter 0.0716 0.7274 0.7274
Onchocerca volvulus 0.0286 0.2834 0.3896
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1992 0.6425
Entamoeba histolytica hypothetical protein 0.0043 0.0326 1
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.1992 0.2739
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.009 0.0124
Entamoeba histolytica hypothetical protein 0.0043 0.0326 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0213 0.2501

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2818 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
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 3.2944 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 Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3078 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) 7.9433 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 12.9953 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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
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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 50.1187 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.