Detailed information for compound 1269387

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 352.447 | Formula: C21H20O3S
  • H donors: 1 H acceptors: 1 LogP: 4.95 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)c1sc2c(c1C#CCC(O)C)cc(cc2)OC
  • InChi: 1S/C21H20O3S/c1-14(22)6-4-9-18-19-13-17(24-3)10-11-20(19)25-21(18)15-7-5-8-16(12-15)23-2/h5,7-8,10-14,22H,6H2,1-3H3
  • InChiKey: ISEFLRMYZGZAKB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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
Schistosoma mansoni hypothetical protein 0.0205 0.2149 0.2149
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0062 0.0334 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0062 0.0334 0.0334
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0334 1
Brugia malayi jmjC domain containing protein 0.0115 0.1016 0.1016
Schistosoma mansoni single-minded 0.0042 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0762 0.922 0.922
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0042 0.009 0.0417
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0062 0.0334 0.1553
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0824 1 1
Echinococcus granulosus geminin 0.0205 0.2149 1
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 1
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0062 0.0334 0.5
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0062 0.0334 0.1553
Mycobacterium leprae Possible regulatory protein 0.0042 0.009 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0334 0.0334
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0094 0.0437
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0062 0.0334 0.0334
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0062 0.0334 0.1553
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0824 1 1
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0062 0.0334 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 1
Loa Loa (eye worm) hypothetical protein 0.0762 0.922 0.922
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0062 0.0334 0.1553
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0062 0.0334 0.1553
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0062 0.0334 1
Echinococcus multilocularis geminin 0.0205 0.2149 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Plasmodium falciparum phosphodiesterase gamma, putative 0.0062 0.0334 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0475 0.0475
Schistosoma mansoni aryl hydrocarbon receptor 0.0042 0.009 0.009
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0334 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0175 0.0814
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0062 0.0334 0.0334
Plasmodium falciparum phosphodiesterase delta, putative 0.0062 0.0334 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0062 0.0334 0.1553
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0062 0.0334 0.0334
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0042 0.009 0.0417
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0062 0.0334 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0094 0.0094
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0094 0.0437
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0062 0.0334 0.0334
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0062 0.0334 0.1553
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0062 0.0334 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0334 0.0334
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0062 0.0334 0.1553
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0062 0.0334 0.1553
Loa Loa (eye worm) hypothetical protein 0.0762 0.922 0.922
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0062 0.0334 0.0334
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0062 0.0334 0.1553
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0062 0.0334 0.0334
Plasmodium vivax phosphodiesterase gamma, putative 0.0062 0.0334 1
Loa Loa (eye worm) hypothetical protein 0.0824 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.0062 0.0334 0.0334
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0062 0.0334 1
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0062 0.0334 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0062 0.0334 1
Giardia lamblia hypothetical protein 0.0062 0.0334 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0062 0.0334 0.1553
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Echinococcus granulosus aryl hydrocarbon receptor 0.0042 0.009 0.0417
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 1
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0062 0.0334 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0062 0.0334 1
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0062 0.0334 1
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0042 0.009 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0334 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0062 0.0334 1
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0062 0.0334 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0175 0.0814
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0062 0.0334 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0062 0.0334 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1016 0.4728
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0062 0.0334 0.1553
Trypanosoma brucei hypothetical protein, conserved 0.0062 0.0334 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0042 0.009 0.009
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Leishmania major hypothetical protein, conserved 0.0062 0.0334 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0062 0.0334 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Brugia malayi hypothetical protein 0.0042 0.009 0.009
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0062 0.0334 0.0334
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0062 0.0334 0.1553
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0062 0.0334 1
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0062 0.0334 0.0334
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0062 0.0334 0.0334
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0062 0.0334 0.1553
Brugia malayi jmjC domain containing protein 0.0043 0.0094 0.0094
Brugia malayi PAS domain containing protein 0.0042 0.009 0.009
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0062 0.0334 1
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0094 0.0094
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0062 0.0334 1
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0334 1
Giardia lamblia Hypothetical protein 0.0062 0.0334 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0062 0.0334 0.0334
Leishmania major cAMP-specific phosphodiesterase, putative 0.0062 0.0334 1
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0062 0.0334 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Schistosoma mansoni hypothetical protein 0.0205 0.2149 0.2149
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0062 0.0334 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0062 0.0334 1
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0715 0.0715
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0062 0.0334 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.009 0.009
Onchocerca volvulus 0.0182 0.1868 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0062 0.0334 0.5
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0062 0.0334 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0062 0.0334 0.5
Echinococcus multilocularis aryl hydrocarbon receptor 0.0042 0.009 0.0417
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0062 0.0334 1
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0062 0.0334 0.1553
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0062 0.0334 1
Leishmania major hypothetical protein, conserved 0.0062 0.0334 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0062 0.0334 0.0334
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0062 0.0334 0.0334
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0094 0.0094
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0062 0.0334 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0062 0.0334 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0334 1
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 1
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0062 0.0334 1
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0334 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0062 0.0334 0.0334
Brugia malayi hypothetical protein 0.0182 0.1868 0.1868
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0062 0.0334 0.1553
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0062 0.0334 1
Onchocerca volvulus 0.0042 0.009 0.0479
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0062 0.0334 1
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0334 1
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0062 0.0334 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.1868 0.1868
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0334 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.009 0.009
Loa Loa (eye worm) PDE1B protein 0.0062 0.0334 0.0334
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0062 0.0334 1
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0334 1
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0062 0.0334 0.0334
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0062 0.0334 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0062 0.0334 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1016 0.4728
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0062 0.0334 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) 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) 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) 18.526 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) 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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