Detailed information for compound 1259293

Basic information

Technical information
  • TDR Targets ID: 1259293
  • Name: N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b] quinolin-3-yl]propanamide
  • MW: 310.393 | Formula: C18H22N4O
  • H donors: 1 H acceptors: 3 LogP: 3.55 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=O)Nc1nn(c2c1cc1cc(C)ccc1n2)CC(C)C
  • InChi: 1S/C18H22N4O/c1-5-16(23)20-17-14-9-13-8-12(4)6-7-15(13)19-18(14)22(21-17)10-11(2)3/h6-9,11H,5,10H2,1-4H3,(H,20,21,23)
  • InChiKey: WYNBMXUGWZVTJS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1-isobutyl-6-methyl-pyrazolo[5,4-b]quinolin-3-yl)propanamide
  • N-(1-isobutyl-6-methyl-3-pyrazolo[5,4-b]quinolinyl)propanamide
  • N-(1-isobutyl-6-methyl-pyrazolo[5,4-b]quinolin-3-yl)propionamide
  • ZINC00542308
  • STOCK4S-67218

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Brugia malayi SET domain containing protein 0.0124 0.0662 0.4533
Brugia malayi jmjC domain containing protein 0.0115 0.06 0.4099
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.0111 0.0566 0.0493
Loa Loa (eye worm) hypothetical protein 0.0084 0.0368 0.248
Loa Loa (eye worm) hypothetical protein 0.0161 0.0932 0.6423
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0067 0.0379
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0231 0.1444 1
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.14 1 1
Trypanosoma brucei lanosterol synthase 0.0061 0.0201 0.2347
Brugia malayi chromobox protein homolog 3 0.0056 0.0164 0.1052
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.0111 0.0566 0.0549
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0046 0.0094 0.0975
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0067 0.0379
Loa Loa (eye worm) hypothetical protein 0.0041 0.0057 0.0304
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0143 0.0799 0.8551
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.016 0.1025
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0288 0.1918
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0231 0.1444 0.207
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.016 0.1025
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0143 0.0799 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0143 0.0799 0.4644
Toxoplasma gondii hypothetical protein 0.0119 0.0627 0.7812
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0161 0.0932 0.6423
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0119 0.0627 0.3645
Onchocerca volvulus 0.0037 0.0026 0.0076
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.016 0.1025
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.06 0.4099
Schistosoma mansoni acetolactate synthase 0.0095 0.0448 0.3039
Mycobacterium ulcerans hypothetical protein 0.0111 0.0566 0.0549
Echinococcus granulosus chromobox protein 1 0.0093 0.0434 0.2944
Loa Loa (eye worm) hypothetical protein 0.006 0.0195 0.1273
Schistosoma mansoni hypothetical protein 0.0205 0.1253 0.867
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0231 0.1444 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0195 0.1273
Onchocerca volvulus 0.0268 0.172 1
Toxoplasma gondii N-acetylglucosaminylphosphatidylinositol deacetylase 0.0046 0.0094 0.1023
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0042 0.0061 0.0552
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0143 0.0799 0.4644
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0161 0.0932 0.63
Trypanosoma cruzi lanosterol synthase, putative 0.0061 0.0201 0.2347
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0082 0.0354 0.3704
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0161 0.0932 0.5417
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0195 0.1273
Brugia malayi Pre-SET motif family protein 0.006 0.0195 0.1273
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.0061 0.0201 0.1014
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.0111 0.0566 0.0477
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0143 0.0799 0.1137
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0059 0.019 0.1035
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.0111 0.0566 0.0549
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.0061 0.0201 0.2347
Trypanosoma cruzi hypothetical protein, conserved 0.0061 0.0201 0.2347
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0196 0.1279
Brugia malayi jmjC domain containing protein 0.0043 0.0067 0.0379
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.006 0.0195 0.0263
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0143 0.0799 0.5492
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0161 0.0932 0.1329
Loa Loa (eye worm) hypothetical protein 0.006 0.0196 0.1279
Schistosoma mansoni chromobox protein 0.0093 0.0434 0.2944
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0061 0.0552
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0143 0.0799 0.5492
Entamoeba histolytica N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase, putative 0.0046 0.0094 0.0239
Plasmodium vivax N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0046 0.0094 0.0875
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0161 0.0932 0.6423
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.0061 0.0201 0.1311
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.016 0.1025
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0196 0.1279
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.0061 0.0201 0.1311
Giardia lamblia Prenyltransferase 0.0143 0.0799 0.8551
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.016 0.0212
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0061 0.0201 0.1167
Trypanosoma cruzi protein farnesyltransferase, putative 0.0143 0.0799 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0084 0.0368 0.248
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.0061 0.0201 0.0271
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0143 0.0799 0.5338
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0042 0.0061 0.0552
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0042 0.0061 0.0331
Mycobacterium ulcerans acetolactate synthase 0.0063 0.0219 0.0202
Trypanosoma cruzi protein farnesyltransferase, putative 0.0143 0.0799 1
Leishmania major geranylgeranyltransferase, putative 0.0061 0.0201 0.2347
Echinococcus granulosus geminin 0.0205 0.1253 0.867
Echinococcus multilocularis geminin 0.0205 0.1253 0.1795
Loa Loa (eye worm) heterochromatin protein 1 0.0093 0.0434 0.2944
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0114 0.0146
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0143 0.0799 0.5492
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0063 0.0219 0.0202
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0046 0.0094 0.0116
Loa Loa (eye worm) ILVBL protein 0.0067 0.0246 0.1628
Leishmania major N-acetyl-D-acetylglucosaminylphosphatidylinositol deacetylase 0.0046 0.0094 0.0975
Plasmodium vivax acyl-CoA synthetase, putative 0.0063 0.0219 0.2242
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0426 0.2886
Schistosoma mansoni hypothetical protein 0.0205 0.1253 0.867
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.0111 0.0566 0.0493
Echinococcus multilocularis chromobox protein 1 0.0093 0.0434 0.0609
Trichomonas vaginalis chromobox protein, putative 0.0059 0.019 0.1104
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.1353 0.9662 1
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0231 0.1444 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0195 0.1273
Plasmodium falciparum acyl-CoA synthetase 0.0063 0.0219 0.2242
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0231 0.1444 1
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0046 0.0094 0.0562
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.0195 0.0263
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.0195 0.2318
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0231 0.1444 1
Plasmodium vivax SET domain protein, putative 0.006 0.0195 0.1982
Giardia lamblia Rab geranylgeranyltransferase 0.0061 0.0201 0.2041
Leishmania major farnesyltransferase beta subunit 0.0143 0.0799 1
Onchocerca volvulus 0.0042 0.0061 0.0277
Trichomonas vaginalis chromobox protein, putative 0.0093 0.0434 0.2525
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0056 0.0164 0.0882
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0042 0.0061 0.0331
Echinococcus multilocularis L aminoadipate semialdehyde 0.0084 0.0368 0.0513
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0042 0.0061 0.0552
Plasmodium falciparum N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0046 0.0094 0.0875
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0046 0.0094 0.0544
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0084 0.0368 0.248
Loa Loa (eye worm) hypothetical protein 0.0037 0.0026 0.009
Schistosoma mansoni acetolactate synthase 0.0095 0.0448 0.3039
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0042 0.0061 0.0331
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.016 0.0212
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0046 0.0094 0.0562
Trypanosoma cruzi lanosterol synthase, putative 0.0061 0.0201 0.2347
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0067 0.0078
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0161 0.0932 0.5417
Trichomonas vaginalis chromobox protein, putative 0.0059 0.019 0.1104
Giardia lamblia Rab geranylgeranyltransferase 0.0161 0.0932 1
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.0061 0.0201 0.2387
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0042 0.0061 0.0331
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0042 0.0061 0.0515
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0042 0.0061 0.0552
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.016 0.1025
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.06 0.0849
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0042 0.0061 0.0352
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0161 0.0932 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.1297 0.8972
Loa Loa (eye worm) hypothetical protein 0.0101 0.0498 0.3388
Trypanosoma brucei N-acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase 0.0046 0.0094 0.0975
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0042 0.0061 0.0068
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0046 0.0094 0.0562
Entamoeba histolytica glucosamine-6-phosphate isomerase, putative 0.0046 0.0094 0.0239
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0161 0.0932 0.5417
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.0061 0.0201 0.2041
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0063 0.0219 0.2582
Echinococcus granulosus histone lysine methyltransferase setb 0.006 0.0195 0.1273
Plasmodium falciparum geranylgeranyltransferase, putative 0.0061 0.0201 0.2041
Trichomonas vaginalis chromobox protein, putative 0.0093 0.0434 0.2525
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0061 0.0552
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.0179 0.116
Giardia lamblia Rab geranylgeranyltransferase 0.0042 0.0061 0.0515
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0042 0.0061 0.0068
Plasmodium vivax geranylgeranyltransferase, putative 0.0061 0.0201 0.2041
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0143 0.0799 0.4644
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0063 0.0219 0.0202
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0046 0.0094 0.0975
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0057 0.0304
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0143 0.0799 0.4644
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0061 0.0201 0.0112
Onchocerca volvulus 0.0182 0.1085 0.628
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.0061 0.0201 0.2041
Schistosoma mansoni chromobox protein 0.0093 0.0434 0.2944
Loa Loa (eye worm) hypothetical protein 0.0122 0.0645 0.442
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein 0.0111 0.0566 0.3863
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.0061 0.0201 0.2347
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0061 0.0201 0.2387
Loa Loa (eye worm) hypothetical protein 0.0061 0.0201 0.1311
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0196 0.1279
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0042 0.0061 0.0552
Toxoplasma gondii hypothetical protein 0.0042 0.0061 0.0602
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.016 0.1025
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.0111 0.0566 0.0477
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0084 0.0368 0.248
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0042 0.0061 0.0331
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.6923 1
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0143 0.0799 1
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0042 0.0061 0.0515
Loa Loa (eye worm) hypothetical protein 0.006 0.0197 0.1287
Echinococcus granulosus chromobox protein 1 0.0093 0.0434 0.2944
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0067 0.0379
Echinococcus multilocularis chromobox protein 1 0.0093 0.0434 0.0609
Trypanosoma cruzi hypothetical protein, conserved 0.0061 0.0201 0.2347
Onchocerca volvulus 0.0084 0.0368 0.2078
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0182 0.1085 0.7495
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0114 0.0706
Mycobacterium ulcerans N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB 0.0046 0.0094 0.0076
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0161 0.0932 1
Brugia malayi Pre-SET motif family protein 0.0211 0.1297 0.8972
Loa Loa (eye worm) hypothetical protein 0.0061 0.0201 0.1311
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.016 0.1025
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.0046 0.0094 0.0562
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0161 0.0932 0.6423
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0143 0.0799 0.4644
Brugia malayi Heterochromatin protein 1 0.0093 0.0434 0.2944
Giardia lamblia Glucosamine-6-phosphate isomerase, putative 0.0046 0.0094 0.0875
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0164 0.0952
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0061 0.0552
Trichomonas vaginalis set domain proteins, putative 0.0268 0.172 1
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.0063 0.022 0.1445
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0042 0.0061 0.0552
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0231 0.1444 0.8392
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0164 0.0952
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0231 0.1444 1
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0161 0.0932 0.6423
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0143 0.0799 0.8551
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) 0.0047 0.0102 0.0009
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0061 0.0201 0.1167
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0143 0.0799 0.5492
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0067 0.0379
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0143 0.0799 0.4644
Schistosoma mansoni hypothetical protein 0.0041 0.0057 0.0304
Loa Loa (eye worm) hypothetical protein 0.0056 0.0164 0.1052
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0042 0.0061 0.0552

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.6511 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) 6.5733 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) 18.3564 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) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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 (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 63.0957 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
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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