Detailed information for compound 1387948

Basic information

Technical information
  • TDR Targets ID: 1387948
  • Name: 2-(4-methylphenyl)sulfanyl-N-[4-(pyrimidin-2- ylsulfamoyl)phenyl]acetamide
  • MW: 414.501 | Formula: C19H18N4O3S2
  • H donors: 2 H acceptors: 5 LogP: 2.84 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)CSc1ccc(cc1)C
  • InChi: 1S/C19H18N4O3S2/c1-14-3-7-16(8-4-14)27-13-18(24)22-15-5-9-17(10-6-15)28(25,26)23-19-20-11-2-12-21-19/h2-12H,13H2,1H3,(H,22,24)(H,20,21,23)
  • InChiKey: UMEODYAMQJFUDE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(4-methylphenyl)thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamide
  • 2-[(4-methylphenyl)thio]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
  • 2-(4-methylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]ethanamide
  • 2-[(4-methylphenyl)thio]-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}acetamide
  • MLS000693412
  • SMR000299962
  • ZINC00987734
  • STK159072
  • AJ-292/42648266

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
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
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0814 0.2424 0.2414
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0814 0.2424 0.7759
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0208 0.0658
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0504 0.1497 0.3546
Schistosoma mansoni proteasome subunit alpha 3 (T01 family) 0.0206 0.0604 0.1927
Echinococcus granulosus dnaJ subfamily B 0.0494 0.1466 0.1455
Schistosoma mansoni proteasome subunit alpha 2 (T01 family) 0.0206 0.0604 0.1927
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0206 0.0604 0.1927
Echinococcus granulosus proteasome prosome macropain 0.1048 0.3124 0.3115
Echinococcus granulosus proteasome subunit alpha type 6 0.0206 0.0604 0.0591
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0206 0.0604 0.1932
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0206 0.0604 0.1927
Trypanosoma brucei proteasome beta 6 subunit 0.0814 0.2424 0.7224
Loa Loa (eye worm) proteasome subunit alpha type 6 0.0206 0.0604 0.1882
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0011 0.0035
Plasmodium vivax proteasome subunit beta type-5, putative 0.1048 0.3124 1
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0206 0.0604 0.0591
Schistosoma mansoni hypothetical protein 0.0339 0.1003 0.3206
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0504 0.1497 0.4467
Echinococcus granulosus netrin receptor unc 5 0.0339 0.1003 0.0991
Echinococcus multilocularis proteasome (prosome, macropain) 0.1048 0.3124 0.3115
Loa Loa (eye worm) proteasome subunit beta type 1 0.0814 0.2424 0.7746
Echinococcus granulosus Ankyrin 0.0341 0.1008 0.0996
Echinococcus granulosus Proteasome subunit alpha type 7 0.0206 0.0604 0.0591
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0206 0.0604 0.1882
Leishmania major proteasome beta 2 subunit, putative 0.0504 0.1497 0.3546
Schistosoma mansoni hypothetical protein 0.0205 0.06 0.1914
Loa Loa (eye worm) hypothetical protein 0.0341 0.1008 0.3183
Plasmodium falciparum proteasome subunit beta type-5 0.1048 0.3124 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0206 0.0604 0.1882
Giardia lamblia Proteasome subunit beta type 5 precursor 0.1048 0.3124 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0011 0.0035
Schistosoma mansoni proteasome catalytic subunit 1 (T01 family) 0.0206 0.0604 0.1927
Echinococcus granulosus 20S proteasome subunit alpha 6 0.0206 0.0604 0.0591
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0339 0.1003 0.3168
Trypanosoma cruzi 20S proteasome subunit 0.0504 0.1497 0.3546
Echinococcus granulosus proteasome prosome macropain subunit beta type 0.0206 0.0604 0.0591
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0011 0.0035
Echinococcus multilocularis proteasome (prosome macropain) subunit beta type 0.0206 0.0604 0.0591
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0206 0.0604 0.1932
Echinococcus multilocularis cpg binding protein 0.0037 0.0097 0.0084
Trypanosoma brucei proteasome subunit beta type-5, putative 0.1048 0.3124 1
Echinococcus granulosus proteasome subunit beta type 6 0.0206 0.0604 0.0591
Brugia malayi Proteasome subunit alpha type 1 0.0206 0.0604 0.1883
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0206 0.0604 0.1932
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0206 0.0604 0.1932
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0013 0.0035
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0206 0.0604 0.1927
Echinococcus multilocularis proteasome subunit beta type 6 0.0206 0.0604 0.0591
Schistosoma mansoni netrin receptor unc5 0.0339 0.1003 0.3206
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0091 0.0231
Echinococcus multilocularis proteasome subunit alpha type 2 0.0206 0.0604 0.0591
Echinococcus granulosus geminin 0.0205 0.06 0.0587
Schistosoma mansoni proteasome subunit alpha 7 (T01 family) 0.0206 0.0604 0.1927
Echinococcus multilocularis proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta 0.0206 0.0604 0.0591
Plasmodium vivax proteasome subunit beta type-2, putative 0.0504 0.1497 0.3546
Loa Loa (eye worm) proteasome subunit beta type 2 0.0504 0.1497 0.476
Brugia malayi proteasome subunit beta type 3 0.0206 0.0604 0.1883
Echinococcus granulosus Proteasome subunit alpha beta 0.0206 0.0604 0.0591
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0206 0.0604 0.1932
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.1466 0.1455
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0019 0.0006
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0341 0.1008 0.3221
Echinococcus granulosus proteasome prosome macropain subunit alpha 0.0206 0.0604 0.0591
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0206 0.0604 0.1882
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0206 0.0604 0.1932
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0206 0.0604 0.0591
Schistosoma mansoni ankyrin 23/unc44 0.0339 0.1003 0.3206
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0504 0.1497 0.4793
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0206 0.0604 0.1932
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0206 0.0604 0.1932
Loa Loa (eye worm) PAS-3 protein 0.0206 0.0604 0.1882
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0504 0.1497 0.1486
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0339 0.1003 0.0991
Mycobacterium leprae proteasome (beta subunit) PrcB 0.1048 0.3124 1
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0504 0.1497 0.3546
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.1048 0.3124 1
Loa Loa (eye worm) proteasome subunit beta type 3 0.0206 0.0604 0.1882
Brugia malayi proteasome subunit beta type 2 0.0504 0.1497 0.4761
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.1048 0.3124 1
Echinococcus multilocularis proteasome (prosome macropain) subunit alpha 0.0206 0.0604 0.0591
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0814 0.2424 0.7224
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0206 0.0604 0.1927
Brugia malayi proteasome subunit alpha type 3 0.0206 0.0604 0.1883
Brugia malayi Proteasome A-type and B-type family protein 0.0206 0.0604 0.1883
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0011 0.0035
Brugia malayi proteasome subunit alpha type 2 0.0206 0.0604 0.1883
Trichomonas vaginalis helicase, putative 0.0008 0.0011 0.0035
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0206 0.0604 0.1932
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0814 0.2424 0.7224
Brugia malayi proteasome subunit alpha type 6 0.0206 0.0604 0.1883
Giardia lamblia Proteasome subunit beta type 2 0.0504 0.1497 0.3546
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0206 0.0604 0.1927
Toxoplasma gondii proteasome subunit beta type, putative 0.1048 0.3124 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.1048 0.3124 1
Mycobacterium ulcerans proteasome PrcB 0.1048 0.3124 1
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0504 0.1497 0.4789
Loa Loa (eye worm) proteasome subunit alpha type 7-1 0.0206 0.0604 0.1882
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0814 0.2424 0.776
Toxoplasma gondii 20S proteasome subunit beta 7, putative 0.0206 0.0604 0.1427
Echinococcus granulosus subfamily T1A non peptidase ue 0.0206 0.0604 0.0591
Brugia malayi proteasome subunit alpha type 4 0.0206 0.0604 0.1883
Toxoplasma gondii proteasome subunit beta type 7 precursor, putative 0.0206 0.0604 0.1427
Toxoplasma gondii proteasome subunit alpha1, putative 0.0206 0.0604 0.1427
Brugia malayi Death domain containing protein 0.0339 0.1003 0.3169
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0206 0.0604 0.1932
Brugia malayi Uncoordinated protein 44 0.0339 0.1003 0.3169
Echinococcus multilocularis proteasome subunit beta type 7 0.0206 0.0604 0.0591
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0011 0.0035
Schistosoma mansoni hypothetical protein 0.0205 0.06 0.1914
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0011 0.0035
Echinococcus granulosus cpg binding protein 0.0037 0.0097 0.0084
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.1048 0.3124 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0011 0.0035
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0504 0.1497 0.4793
Schistosoma mansoni cpg binding protein 0.0037 0.0097 0.0304
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0011 0.0035
Brugia malayi Protein kinase domain containing protein 0.0339 0.1003 0.3169
Schistosoma mansoni proteasome catalytic subunit 2 (T01 family) 0.0206 0.0604 0.1927
Toxoplasma gondii peptidase, T1 family protein 0.0206 0.0604 0.1427
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.1048 0.3124 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0091 0.0232
Brugia malayi Immunoglobulin I-set domain containing protein 0.0339 0.1003 0.3169
Echinococcus multilocularis Ankyrin 0.0341 0.1008 0.0996
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0206 0.0604 0.0591
Echinococcus multilocularis Proteasome, subunit alpha beta 0.0206 0.0604 0.0591
Onchocerca volvulus Notchless protein homolog 0.0206 0.0604 0.5621
Brugia malayi Proteasome A-type and B-type family protein 0.0206 0.0604 0.1883
Echinococcus multilocularis proteasome subunit alpha type 6 0.0206 0.0604 0.0591
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.1048 0.3124 1
Giardia lamblia Proteasome subunit beta type 1 0.0814 0.2424 0.7224
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0814 0.2424 0.7224
Brugia malayi proteasome subunit alpha type 1 0.0206 0.0604 0.1883
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0814 0.2424 0.762
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0011 0.0035
Echinococcus granulosus proteasome subunit beta type 7 0.0206 0.0604 0.0591
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0206 0.0604 0.1932
Loa Loa (eye worm) hypothetical protein 0.0339 0.1003 0.3168
Brugia malayi Proteasome A-type and B-type family protein 0.1048 0.3124 1
Schistosoma mansoni hypothetical protein 0.0494 0.1466 0.4688
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0504 0.1497 0.3546
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.1048 0.3124 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0206 0.0604 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0011 0.0035
Schistosoma mansoni cpg binding protein 0.0037 0.0097 0.0304
Toxoplasma gondii proteasome beta subunit 0.0206 0.0604 0.1427
Loa Loa (eye worm) proteasome subunit alpha type 2 0.0206 0.0604 0.1882
Echinococcus multilocularis subfamily T1A non peptidase ue 0.0206 0.0604 0.0591
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0814 0.2424 0.2414
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0011 0.0035
Echinococcus multilocularis geminin 0.0205 0.06 0.0587
Echinococcus granulosus proteasome subunit alpha type 2 0.0206 0.0604 0.0591
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0011 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0011 0.0035
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0814 0.2424 0.7224
Loa Loa (eye worm) 20S proteasome alpha5 subunit 0.0206 0.0604 0.1882
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0206 0.0604 0.1927
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0504 0.1497 0.4789
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0011 0.0035
Toxoplasma gondii heat shock protein hslv, putative 0.0206 0.0604 0.1427
Echinococcus granulosus proteasome subunit beta t family 0.0206 0.0604 0.0591
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0814 0.2424 0.7224
Brugia malayi Proteasome A-type and B-type family protein 0.0206 0.0604 0.1883
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0206 0.0604 0.1927
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0011 0.0035
Loa Loa (eye worm) proteasome subunit alpha type 3 0.0206 0.0604 0.1882
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0504 0.1497 0.3546
Toxoplasma gondii proteasome subunit alpha type 1, putative 0.0206 0.0604 0.1427
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0206 0.0604 0.1927
Leishmania major proteasome beta 5 subunit, putative 0.1048 0.3124 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0504 0.1497 0.1486
Echinococcus multilocularis nuclear factor of activated T cells 5 0.3345 1 1
Brugia malayi 20S proteasome alpha5 subunit 0.0206 0.0604 0.1883
Toxoplasma gondii proteasome subunit 0.0206 0.0604 0.1427
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0011 0.0035
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0206 0.0604 0.1932
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0011 0.0035
Brugia malayi proteasome subunit beta type 1 0.0814 0.2424 0.7746
Loa Loa (eye worm) proteasome subunit alpha type 1 0.0206 0.0604 0.1882
Echinococcus granulosus death domain containing protein 0.0339 0.1003 0.0991
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0019 0.0006
Plasmodium vivax proteasome subunit beta type-1, putative 0.0814 0.2424 0.7224
Schistosoma mansoni proteasome subunit beta 4 (T01 family) 0.0206 0.0604 0.1927
Brugia malayi Proteasome subunit alpha type 7-1 0.0206 0.0604 0.1883
Schistosoma mansoni cpg binding protein 0.0035 0.0091 0.0285
Schistosoma mansoni proteasome subunit alpha 4 (T01 family) 0.0206 0.0604 0.1927
Echinococcus multilocularis 20S proteasome subunit alpha 6 0.0206 0.0604 0.0591
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0339 0.1003 0.0991
Echinococcus multilocularis netrin receptor unc 5 0.0339 0.1003 0.0991
Onchocerca volvulus Netrin receptor homolog 0.0339 0.1003 1
Toxoplasma gondii proteasome subunit alpha2, protease of the acylase family and NTN hydrolase fold, putative 0.0206 0.0604 0.1427
Toxoplasma gondii proteasome subunit alpha type 5-2, putative 0.0206 0.0604 0.1427
Toxoplasma gondii proteasome subunit alpha type, putative 0.0206 0.0604 0.1427

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4611 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3753 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) 11.6891 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 30.1313 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 Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) 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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