Detailed information for compound 1405988

Basic information

Technical information
  • TDR Targets ID: 1405988
  • Name: 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-m ethyl-3,4-dihydroisoquinolin-1-one
  • MW: 336.384 | Formula: C20H20N2O3
  • H donors: 0 H acceptors: 2 LogP: 2.51 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCc2c1cccc2)COc1cccc2c1CCN(C2=O)C
  • InChi: 1S/C20H20N2O3/c1-21-11-10-15-16(20(21)24)6-4-8-18(15)25-13-19(23)22-12-9-14-5-2-3-7-17(14)22/h2-8H,9-13H2,1H3
  • InChiKey: AEEOXTFNHREGKN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(2-indolin-1-yl-2-oxo-ethoxy)-2-methyl-3,4-dihydroisoquinolin-1-one
  • 5-[2-(1-indolinyl)-2-oxoethoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
  • 5-(2-indolin-1-yl-2-keto-ethoxy)-2-methyl-3,4-dihydroisocarbostyril
  • 5-[2-(2,3-dihydroindol-1-yl)-2-oxo-ethoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
  • ZINC02716251
  • MLS000683002
  • SMR000323074
  • IFLab1_002210

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0048 0.018 0.0553
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0387 0.3753 1
Schistosoma mansoni hypothetical protein 0.0205 0.1836 0.4828
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0048 0.018 0.0362
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0387 0.3753 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0387 0.3753 1
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.018 0.0362
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0048 0.018 0.1842
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0048 0.018 0.0362
Brugia malayi hypothetical protein 0.0228 0.2087 1
Toxoplasma gondii ABC1 family protein 0.0035 0.0046 0.0141
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0048 0.018 0.0553
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0048 0.018 0.0553
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0048 0.018 0.0362
Trichomonas vaginalis conserved hypothetical protein 0.0339 0.3252 0.8649
Leishmania major hypothetical protein, conserved 0.0048 0.018 0.048
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0048 0.018 0.0362
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0183 0.0369
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.018 0.048
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0387 0.3753 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0046 0.0219
Brugia malayi beta-lactamase family protein 0.0035 0.0046 0.0219
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0387 0.3753 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0171 0.1478 0.7082
Plasmodium falciparum GAF domain-related protein, putative 0.0123 0.0977 1
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0048 0.018 0.1842
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0145 0.0267
Giardia lamblia hypothetical protein 0.0048 0.018 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0387 0.3753 1
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0048 0.018 0.0362
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0048 0.018 0.0362
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0046 0.0122
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.018 0.048
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.018 0.0362
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0048 0.018 0.0362
Trichomonas vaginalis conserved hypothetical protein 0.0339 0.3252 0.8649
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0048 0.018 0.0362
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0387 0.3753 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0145 0.0267
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0387 0.3753 1
Trypanosoma brucei hypothetical protein, conserved 0.0048 0.018 0.048
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0048 0.018 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0387 0.3753 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0387 0.3753 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.018 0.0862
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0387 0.3753 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0048 0.018 0.0553
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0048 0.018 0.0553
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0263 0.2455 0.6499
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0046 0.0219
Loa Loa (eye worm) beta-lactamase 0.0035 0.0046 0.0219
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0048 0.018 0.0362
Loa Loa (eye worm) hypothetical protein 0.0035 0.0046 0.0219
Toxoplasma gondii GAF domain-containing protein 0.0123 0.0977 0.3004
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0387 0.3753 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.0977 0.4682
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0048 0.018 0.0553
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0048 0.018 0.0553
Mycobacterium leprae conserved hypothetical protein 0.0123 0.0977 1
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0048 0.018 0.0135
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0387 0.3753 1
Loa Loa (eye worm) hypothetical protein 0.0171 0.1478 0.7082
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0123 0.0977 0.4714
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0145 0.01
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0171 0.1478 0.7082
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0387 0.3753 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0046 0.0219
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0387 0.3753 1
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0048 0.018 0.0135
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0387 0.3753 1
Toxoplasma gondii hypothetical protein 0.0123 0.0977 0.3004
Loa Loa (eye worm) hypothetical protein 0.0048 0.0183 0.0876
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0048 0.018 0.0553
Loa Loa (eye worm) hypothetical protein 0.0048 0.018 0.0862
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0048 0.018 0.0362
Loa Loa (eye worm) hypothetical protein 0.0228 0.2087 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0046 0.0469
Toxoplasma gondii hypothetical protein 0.0123 0.0977 0.3004
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0046 0.0122
Onchocerca volvulus 0.0048 0.0183 1
Brugia malayi beta-lactamase 0.0035 0.0046 0.0219
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.2021 1
Toxoplasma gondii hypothetical protein 0.0339 0.3252 1
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0048 0.018 0.048
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0387 0.3753 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0046 0.0122
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0048 0.018 0.0553
Leishmania major hypothetical protein, conserved 0.0048 0.018 0.048
Loa Loa (eye worm) hypothetical protein 0.0048 0.018 0.0862
Mycobacterium ulcerans putative regulatory protein 0.0123 0.0977 1
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0387 0.3753 0.3724
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0048 0.018 0.0553
Echinococcus multilocularis geminin 0.0205 0.1836 0.1798
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0387 0.3753 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0048 0.018 0.0553
Onchocerca volvulus 0.0047 0.017 0.909
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0048 0.018 0.0862
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0048 0.018 0.048
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0387 0.3753 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0048 0.018 0.0553
Giardia lamblia Hypothetical protein 0.0048 0.018 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0048 0.018 0.0362
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0048 0.018 0.0362
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0048 0.018 0.1842
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0387 0.3753 1
Mycobacterium ulcerans putative regulatory protein 0.0123 0.0977 1
Plasmodium vivax phosphodiesterase gamma, putative 0.0048 0.018 0.1842
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0048 0.018 0.0362
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0048 0.018 0.0862
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0048 0.018 0.0862
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0048 0.018 0.0135
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0048 0.018 0.0135
Trichomonas vaginalis conserved hypothetical protein 0.0123 0.0977 0.2512
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0387 0.3753 1
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0048 0.018 0.048
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.018 0.048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0145 0.0267
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0048 0.018 0.0135
Schistosoma mansoni hypothetical protein 0.0047 0.017 0.0336
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.018 0.048
Loa Loa (eye worm) hypothetical protein 0.0035 0.0046 0.0219
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0387 0.3753 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0387 0.3753 1
Schistosoma mansoni survival motor neuron protein 0.0047 0.017 0.0336
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0048 0.018 0.0553
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0048 0.018 0.0553
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0123 0.0977 0.4714
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.2087 0.5506
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.018 0.048
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.017 0.0816
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0171 0.1478 0.3863
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0048 0.018 0.0362
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0048 0.018 0.0553
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0387 0.3753 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0387 0.3753 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0048 0.018 0.0362
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0387 0.3753 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0387 0.3753 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0048 0.018 0.0362
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0145 0.01
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0263 0.2455 0.6542
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0048 0.018 0.0362
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0171 0.1478 0.3863
Plasmodium vivax hypothetical protein, conserved 0.0123 0.0977 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0145 0.0267
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0145 0.0694
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0387 0.3753 1
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0048 0.018 0.1842
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0048 0.018 0.0362
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0387 0.3753 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0048 0.018 0.0362
Echinococcus granulosus geminin 0.0205 0.1836 0.4828
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0145 0.0694
Trichomonas vaginalis conserved hypothetical protein 0.0339 0.3252 0.8649
Loa Loa (eye worm) hypothetical protein 0.0035 0.0046 0.0219
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0048 0.018 0.0135
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0387 0.3753 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0387 0.3753 1
Plasmodium falciparum phosphodiesterase delta, putative 0.0048 0.018 0.1842
Echinococcus granulosus tumor protein p63 0.0326 0.312 0.8291
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0387 0.3753 1
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0048 0.018 0.048
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0263 0.2455 0.6499
Loa Loa (eye worm) hypothetical protein 0.0035 0.0046 0.0219
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0048 0.018 0.0362
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0123 0.0977 1
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0048 0.018 0.048
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0171 0.1478 0.3863
Leishmania major cAMP-specific phosphodiesterase, putative 0.0048 0.018 0.048
Brugia malayi beta-lactamase family protein 0.0035 0.0046 0.0219
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0048 0.018 0.0553
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.018 0.048
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0048 0.018 0.0862
Schistosoma mansoni hypothetical protein 0.0205 0.1836 0.4828
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0048 0.018 0.0553
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0048 0.018 0.0362
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0048 0.018 0.0862
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0171 0.1478 0.3863
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0048 0.018 0.048
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0048 0.018 0.048
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0048 0.018 0.0362
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0048 0.018 0.048
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0048 0.018 0.0553
Plasmodium falciparum phosphodiesterase gamma, putative 0.0048 0.018 0.1842
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0171 0.1478 0.3863
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0048 0.018 0.1842
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0048 0.018 0.0362
Loa Loa (eye worm) PDE1B protein 0.0048 0.018 0.0862
Trichomonas vaginalis conserved hypothetical protein 0.0387 0.3753 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0145 0.0267
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0387 0.3753 1
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0171 0.1478 0.1439
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0048 0.018 0.048
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0048 0.018 0.1842
Leishmania major hypothetical protein, conserved 0.0035 0.0046 0.0122
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0048 0.018 0.0362
Echinococcus multilocularis tumor protein p63 0.0326 0.312 0.3088
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0048 0.018 0.0362
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0387 0.3753 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0046 0.0219
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.2087 0.2051
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0048 0.018 0.1842
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0387 0.3753 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.9728 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3753 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) 16.3535 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) 18.3564 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) = 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) 89.1251 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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