Detailed information for compound 1469011

Basic information

Technical information
  • TDR Targets ID: 1469011
  • Name: 2-(3-chlorophenyl)-3-(cycloheptylideneamino)- 1,2-dihydroquinazolin-4-one
  • MW: 367.872 | Formula: C21H22ClN3O
  • H donors: 1 H acceptors: 1 LogP: 5.12 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)C1Nc2ccccc2C(=O)N1N=C1CCCCCC1
  • InChi: 1S/C21H22ClN3O/c22-16-9-7-8-15(14-16)20-23-19-13-6-5-12-18(19)21(26)25(20)24-17-10-3-1-2-4-11-17/h5-9,12-14,20,23H,1-4,10-11H2
  • InChiKey: QBZYJWSXYGCSGW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • A2085/0087665
  • Oprea1_082515
  • AG-205/12909040
  • 2-(3-chlorophenyl)-3-(cycloheptylideneamino)-2,3-dihydro-4(1H)-quinazolinone
  • MLS000544518
  • SMR000163193

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related 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
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 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
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, 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
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium ulcerans 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
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 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 granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
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
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
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 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
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 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
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
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 %
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 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni methylthioadenosine phosphorylase 0.0104 0.0917 0.0917
Brugia malayi Probable ClpP-like protease 0.0094 0.0788 0.0788
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0349 0.0349
Echinococcus multilocularis purine nucleoside phosphorylase 0.0404 0.4967 0.4967
Mycobacterium ulcerans hypothetical protein 0.0182 0.1969 0.1282
Giardia lamblia Guanine phosphoribosyltransferase 0.0777 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0259 0.0727
Echinococcus granulosus purine nucleoside phosphorylase 0.0404 0.4967 0.4967
Mycobacterium tuberculosis Conserved hypothetical protein 0.0182 0.1969 0.2251
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0788 0.0788
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0777 1 1
Schistosoma mansoni uracil phosphoribosyltransferase 0.0182 0.1969 0.1969
Treponema pallidum pfs protein (pfs) 0.0104 0.0917 0.0743
Treponema pallidum uridine phosphorylase (udp) 0.0223 0.2518 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0788 0.0788
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0223 0.2518 1
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0104 0.0917 0.0789
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0182 0.1969 0.1158
Leishmania major adenine phosphoribosyltransferase 0.0182 0.1969 0.1158
Echinococcus multilocularis purine nucleoside phosphorylase 0.0404 0.4967 0.4967
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0182 0.1969 0.1158
Loa Loa (eye worm) adenine phosphoribosyltransferase 0.0182 0.1969 0.5523
Trichomonas vaginalis Ribose-phosphate pyrophosphokinase, putative 0.0182 0.1969 0.1158
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2905 0.8151
Schistosoma mansoni uridine phosphorylase 0.0104 0.0917 0.0917
Schistosoma mansoni uridine phosphorylase 0.0104 0.0917 0.0917
Toxoplasma gondii Purine nucleoside phosphorylase 0.0223 0.2518 0.2518
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0223 0.2518 1
Leishmania major orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative,OMPDCase-OPRTase, putative 0.0182 0.1969 0.1158
Wolbachia endosymbiont of Brugia malayi amidophosphoribosyltransferase 0.0182 0.1969 1
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.0182 0.1969 0.5523
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0777 1 1
Mycobacterium tuberculosis Probable pyrimidine operon regulatory protein PyrR 0.0182 0.1969 0.2251
Echinococcus multilocularis adenine phosphoribosyltransferase 0.0182 0.1969 0.1969
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0404 0.4967 0.4967
Schistosoma mansoni methylthioadenosine phosphorylase 0.0104 0.0917 0.0917
Mycobacterium ulcerans adenine phosphoribosyltransferase 0.0182 0.1969 0.1282
Schistosoma mansoni purine nucleoside phosphorylase 0.0404 0.4967 0.4967
Echinococcus granulosus purine nucleoside phosphorylase 0.0404 0.4967 0.4967
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0182 0.1969 0.1969
Mycobacterium tuberculosis Hypothetical protein 0.0104 0.0917 0.0789
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0259 0.0259
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0404 0.4967 0.4967
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.0777 1 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0777 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0404 0.4967 0.4967
Mycobacterium tuberculosis Conserved protein 0.0182 0.1969 0.2251
Schistosoma mansoni purine nucleoside phosphorylase 0.0404 0.4967 0.4967
Mycobacterium leprae probable uridine phosphorylase 0.0104 0.0917 0.0789
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0182 0.1969 0.1158
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0104 0.0917 0.0917
Brugia malayi orotate phosphoribosyltransferase family protein 0.0182 0.1969 0.1969
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0259 0.0259
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0182 0.1969 0.1969
Mycobacterium leprae AMIDOPHOSPHORIBOSYLTRANSFERASE PURF (GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE AMIDOTRANSFERASE) (ATASE) (GPATASE) 0.0182 0.1969 0.2251
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.0182 0.1969 0.1158
Echinococcus multilocularis purine nucleoside phosphorylase 0.03 0.3564 0.3564
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0104 0.0917 0.014
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0182 0.1969 0.1969
Echinococcus granulosus uridine 5' monophosphate synthase 0.0182 0.1969 0.1969
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0259 0.0259
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0259 0.0259
Brugia malayi uridine phosphorylase family protein 0.0104 0.0917 0.0917
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0788 0.0788
Echinococcus granulosus purine nucleoside phosphorylase 0.0404 0.4967 0.4967
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0182 0.1969 0.1158
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0788 0.0788
Treponema pallidum phosphoribosylpyrophosphate synthetase 0.0182 0.1969 0.6825
Echinococcus granulosus purine nucleoside phosphorylase 0.0404 0.4967 0.4967
Plasmodium vivax orotate phosphoribosyltransferase, putative 0.0182 0.1969 0.1969
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0777 1 1
Mycobacterium ulcerans orotate phosphoribosyltransferase 0.0182 0.1969 0.1282
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0104 0.0917 0.2571
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0223 0.2518 0.2518
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0104 0.0917 0.014
Loa Loa (eye worm) hypothetical protein 0.03 0.3564 1
Brugia malayi MTAP 0.0104 0.0917 0.0917
Onchocerca volvulus 0.0777 1 1
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.0777 1 1
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0404 0.4967 0.4537
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.0595 0.7545 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0777 1 1
Echinococcus multilocularis uridine phosphorylase 1 0.0104 0.0917 0.0917
Echinococcus granulosus uridine phosphorylase 1 0.0104 0.0917 0.0917
Brugia malayi Adenine phosphoribosyltransferase 0.0182 0.1969 0.1969
Trypanosoma brucei orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0182 0.1969 0.1158
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0404 0.4967 0.6418
Echinococcus multilocularis purine nucleoside phosphorylase 0.03 0.3564 0.3564
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0777 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0404 0.4967 0.4967
Mycobacterium tuberculosis Probable orotate phosphoribosyltransferase PyrE (OPRT) (oprtase) 0.0182 0.1969 0.2251
Treponema pallidum adenine phosphoribosyltransferase 0.0182 0.1969 0.6825
Plasmodium falciparum orotate phosphoribosyltransferase 0.0182 0.1969 0.1282
Echinococcus granulosus adenine phosphoribosyltransferase 0.0182 0.1969 0.1969
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0777 1 1
Toxoplasma gondii phosphorylase family protein 0.0104 0.0917 0.0917
Toxoplasma gondii orotate phosphoribosyltransferase 0.0182 0.1969 0.1969
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0788 0.0788
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.0595 0.7545 1
Leishmania major xanthine phosphoribosyltransferase 0.0777 1 1
Mycobacterium ulcerans bifunctional pyrimidine regulatory protein PyrR/uracil phosphoribosyltransferase 0.0182 0.1969 0.1282
Onchocerca volvulus Adenine phosphoribosyltransferase homolog 0.0182 0.1969 0.1969
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0777 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0259 0.0259
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.0777 1 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.0788 0.2211
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0404 0.4967 0.6418
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0259 0.0259
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0777 1 1
Brugia malayi Pre-SET motif family protein 0.0251 0.2905 0.2905
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0182 0.1969 0.1158
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.0777 1 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0788 0.061
Chlamydia trachomatis AMP nucleosidase 0.0104 0.0917 1
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0182 0.1969 0.1969
Mycobacterium tuberculosis Adenine phosphoribosyltransferase Apt (APRT) (AMP diphosphorylase) (AMP pyrophosphorylase) (transphosphoribosidase) 0.0182 0.1969 0.2251
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0788 0.0788
Schistosoma mansoni methylthioadenosine phosphorylase 0.0104 0.0917 0.0917
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.03 0.3564 0.3564
Mycobacterium tuberculosis Conserved protein 0.0182 0.1969 0.2251
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.0777 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0404 0.4967 0.4967
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3374 0.2705
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0182 0.1969 0.1158
Plasmodium falciparum purine nucleoside phosphorylase 0.0223 0.2518 0.1878
Toxoplasma gondii phosphorylase family protein 0.0104 0.0917 0.0917
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0404 0.4967 0.446
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0223 0.2518 0.1763
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0777 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0259 0.0259
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0349 0.0349
Mycobacterium tuberculosis Conserved hypothetical protein 0.0104 0.0917 0.0789
Echinococcus multilocularis purine nucleoside phosphorylase 0.0404 0.4967 0.4967
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0182 0.1969 0.1969
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.0182 0.1969 0.1158
Wolbachia endosymbiont of Brugia malayi orotate phosphoribosyltransferase 0.0182 0.1969 1
Onchocerca volvulus 0.0286 0.3374 0.3374
Echinococcus multilocularis purine nucleoside phosphorylase 0.0404 0.4967 0.4967
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0777 1 1
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0777 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0404 0.4967 0.4967
Echinococcus granulosus purine nucleoside phosphorylase 0.0404 0.4967 0.4967
Mycobacterium tuberculosis Amidophosphoribosyltransferase PurF (glutamine phosphoribosylpyrophosphate amidotransferase) (ATASE) (gpatase) 0.0182 0.1969 0.2251
Echinococcus granulosus methylthioadenosine phosphorylase 0.0104 0.0917 0.0917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0259 0.0259
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0404 0.4967 0.446
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0182 0.1969 0.1969
Treponema pallidum hypothetical protein 0.0182 0.1969 0.6825
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.0777 1 1
Giardia lamblia Adenine phosphoribosyltransferase 0.0182 0.1969 0.1158
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0223 0.2518 1
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.0777 1 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0223 0.2518 0.1763
Echinococcus multilocularis purine nucleoside phosphorylase 0.0404 0.4967 0.4967
Trichomonas vaginalis ribose-phosphate pyrophosphokinase, putative 0.0182 0.1969 0.1158
Mycobacterium leprae PROBABLE OROTATE PHOSPHORIBOSYLTRANSFERASE PYRE (OPRT) (OPRTASE) 0.0182 0.1969 0.2251
Mycobacterium ulcerans amidophosphoribosyltransferase 0.0182 0.1969 0.1282
Loa Loa (eye worm) uridine phosphorylase 0.0104 0.0917 0.2571

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 200.037 uM PUBCHEM_BIOASSAY: MITF Act Counter Assay: HeLa CTG Assay Measured in Cell-Based System Using Plate Reader - 2084-08_Activator_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540328] ChEMBL. No reference
Potency (functional) 1 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) 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) = 3.5481 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) 5.6234 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) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 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 of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 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) 44.6684 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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