Detailed information for compound 1353560

Basic information

Technical information
  • TDR Targets ID: 1353560
  • Name: 2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoq uinolin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphe nyl)acetamide
  • MW: 473.585 | Formula: C24H31N3O5S
  • H donors: 1 H acceptors: 3 LogP: 2.68 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(cc1OC)CCN(C2C)CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
  • InChi: 1S/C24H31N3O5S/c1-17-21-15-23(32-3)22(31-2)14-18(21)10-13-26(17)16-24(28)25-19-6-8-20(9-7-19)33(29,30)27-11-4-5-12-27/h6-9,14-15,17H,4-5,10-13,16H2,1-3H3,(H,25,28)
  • InChiKey: YENDYKBMEPYAKM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-1-pyrrolidinylsulfonylphenyl)acetamide
  • 2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0014 0.0102 0.0546
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0014 0.0102 0.0339
Echinococcus granulosus casein kinase ii subunit beta 0.0071 0.0959 0.0925
Plasmodium falciparum cysteine repeat modular protein 1 0.0052 0.0669 0.6621
Loa Loa (eye worm) hypothetical protein 0.0034 0.0394 0.1307
Toxoplasma gondii PAN domain-containing protein 0.0034 0.0394 0.0672
Toxoplasma gondii PAN/Apple domain-containing protein 0.0034 0.0394 0.0672
Entamoeba histolytica acyl-coA synthetase, putative 0.0049 0.0615 0.4146
Plasmodium falciparum casein kinase II beta chain 0.0071 0.0959 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0097 0.0323
Echinococcus granulosus Mastin 0.0014 0.0097 0.0061
Trichomonas vaginalis casein kinase II beta chain, putative 0.0021 0.0201 0.1502
Echinococcus multilocularis oncosphere protein tso22e oncosphere protein tso22d oncosphere protein tso22c oncosphere protein tso22b oncosphere protein tso22 0.0136 0.1924 0.1894
Schistosoma mansoni hypothetical protein 0.0014 0.0097 0.0097
Schistosoma mansoni hypothetical protein 0.0014 0.0097 0.0097
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0037 0.0122
Loa Loa (eye worm) hypothetical protein 0.0034 0.0394 0.1307
Leishmania major hypothetical protein, conserved 0.0052 0.0669 0.4995
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0014 0.0097 0.0097
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.134 1
Onchocerca volvulus 0.0034 0.0394 0.2045
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.134 1
Loa Loa (eye worm) casein kinase II 0.0021 0.0201 0.0669
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0014 0.0097 0.0061
Brugia malayi serine/threonine-protein kinase plk-2 0.0097 0.134 0.4451
Toxoplasma gondii microneme protein MIC17A 0.0034 0.0394 0.0672
Mycobacterium ulcerans acyl-CoA synthetase 0.0014 0.0102 0.0095
Toxoplasma gondii PAN domain-containing protein 0.0034 0.0394 0.0672
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0097 0.134 0.1308
Brugia malayi PAN domain containing protein 0.0034 0.0394 0.1307
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0014 0.0102 0.0546
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.0432 0.6617
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0097 0.0097
Loa Loa (eye worm) hypothetical protein 0.0036 0.0432 0.1434
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0097 0.0097
Brugia malayi PAN domain containing protein 0.0034 0.0394 0.1307
Onchocerca volvulus Troponin I homolog 0.011 0.153 0.7949
Loa Loa (eye worm) hypothetical protein 0.0034 0.0394 0.1307
Loa Loa (eye worm) hypothetical protein 0.0049 0.0615 0.2044
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0014 0.0102 0.0095
Echinococcus multilocularis enteropeptidase 0.0014 0.0097 0.0061
Schistosoma mansoni hypothetical protein 0.0016 0.0131 0.0131
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0037 0.0122
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0049 0.0615 1
Echinococcus multilocularis 1 phosphatidylinositol 4,5 bisphosphate 0.0019 0.0169 0.0132
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0021 0.0201 0.0802
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0037 0.0122
Trypanosoma cruzi phosphoinositide-specific phospholipase C, putative 0.0019 0.0169 0.0539
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0037 0.0122
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0097 0.0097
Echinococcus granulosus oncosphere protein Tso22e 0.0136 0.1924 0.1894
Trichomonas vaginalis casein kinase II beta chain, putative 0.0071 0.0959 0.7155
Loa Loa (eye worm) hypothetical protein 0.0019 0.0169 0.0561
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0097 0.0097
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0014 0.0097 0.0097
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0037 0.0122
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0049 0.0615 1
Trypanosoma cruzi hypothetical protein, conserved 0.0052 0.0669 0.4582
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0037 0.0191
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0097 0.0097
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0071 0.0959 0.6921
Brugia malayi steroid hormone receptor 0.001 0.0037 0.0122
Brugia malayi Trypsin family protein 0.0014 0.0097 0.0323
Toxoplasma gondii PAN domain-containing protein 0.0034 0.0394 0.0672
Onchocerca volvulus 0.0014 0.0097 0.0505
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0131 0.0435
Echinococcus granulosus GPCR family 2 0.0016 0.0131 0.0095
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0402 0.6071
Loa Loa (eye worm) trypsin family protein 0.0014 0.0097 0.0323
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0102 0.0339
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0019 0.0169 0.0561
Loa Loa (eye worm) hypothetical protein 0.001 0.0037 0.0122
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0014 0.0092 0.0092
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0037 0.0037
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0071 0.0959 0.4983
Trichomonas vaginalis casein kinase II beta chain, putative 0.0021 0.0201 0.1502
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0049 0.0615 1
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0014 0.0102 0.0023
Brugia malayi 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta 4 0.0018 0.0153 0.0508
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0615 0.2044
Brugia malayi nuclear hormone receptor 0.001 0.0037 0.0122
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0097 0.134 0.4451
Loa Loa (eye worm) troponin 0.0065 0.0862 0.2863
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0655 0.2174
Loa Loa (eye worm) oxidoreductase 0.0014 0.0102 0.0339
Onchocerca volvulus 0.0014 0.0102 0.053
Entamoeba histolytica hypothetical protein 0.0043 0.0539 0.3532
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0014 0.0097 0.0061
Trichomonas vaginalis casein kinase II beta chain, putative 0.0071 0.0959 0.7155
Echinococcus multilocularis glycoprotein Antigen 5 0.0014 0.0097 0.0061
Brugia malayi hypothetical protein 0.0065 0.0862 0.2863
Onchocerca volvulus 0.0034 0.0394 0.2045
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0037 0.0122
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.134 0.134
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0014 0.0102 0.0546
Loa Loa (eye worm) hypothetical protein 0.0034 0.0394 0.1307
Brugia malayi PAN domain containing protein 0.0034 0.0394 0.1307
Onchocerca volvulus 0.0014 0.0097 0.0505
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.134 1
Schistosoma mansoni hypothetical protein 0.011 0.153 0.153
Trichomonas vaginalis protein kinase ck2-beta, putative 0.0021 0.0201 0.1502
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0014 0.0097 0.0097
Loa Loa (eye worm) hypothetical protein 0.001 0.0037 0.0122
Brugia malayi Fibulin-1 precursor 0.0014 0.0092 0.0304
Plasmodium vivax casein kinase II beta chain, putative 0.0071 0.0959 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0539 0.0504
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0037 0.0122
Schistosoma mansoni troponin I 0.011 0.153 0.153
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0131 0.0095
Mycobacterium ulcerans hypothetical protein 0.0049 0.0615 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0131 0.0435
Onchocerca volvulus 0.0034 0.0394 0.2045
Trichomonas vaginalis casein kinase II beta chain, putative 0.0071 0.0959 0.7155
Onchocerca volvulus 0.0034 0.0394 0.2045
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0014 0.0092 0.0304
Loa Loa (eye worm) hypothetical protein 0.001 0.0037 0.0122
Loa Loa (eye worm) hypothetical protein 0.0208 0.3011 1
Toxoplasma gondii microneme protein MIC17B 0.0034 0.0394 0.0672
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0615 0.4592
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0539 0.0504
Mycobacterium ulcerans acetyl-CoA synthetase 0.0014 0.0102 0.0095
Trichomonas vaginalis casein kinase II beta chain, putative 0.0071 0.0959 0.7155
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0014 0.0102 0.0095
Loa Loa (eye worm) PAN domain-containing protein 0.0034 0.0394 0.1307
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0071 0.0959 0.6921
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0049 0.0615 1
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.134 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0432 0.1434
Schistosoma mansoni phospholipase C-like protein 2 plc-L2 0.0011 0.0058 0.0058
Brugia malayi PAN domain containing protein 0.0034 0.0394 0.1307
Onchocerca volvulus 0.0014 0.0102 0.053
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.134 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0412 0.1369
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0402 0.6071
Trichomonas vaginalis casein kinase II beta chain, putative 0.0021 0.0201 0.1502
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0018 0.0153 0.0508
Trichomonas vaginalis casein kinase II beta chain, putative 0.0071 0.0959 0.7155
Brugia malayi Trypsin family protein 0.0014 0.0097 0.0323
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0102 0.0339
Trichomonas vaginalis casein kinase II beta chain, putative 0.0071 0.0959 0.7155
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0615 0.4592
Loa Loa (eye worm) hypothetical protein 0.001 0.0037 0.0122
Plasmodium vivax phospholipase C-like, putative 0.0018 0.0153 0.0593
Mycobacterium ulcerans acyl-CoA synthetase 0.0014 0.0102 0.0095
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0174 0.2487 0.246
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0014 0.0092 0.0304
Toxoplasma gondii PAN domain-containing protein 0.0314 0.4587 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0037 0.0122
Schistosoma mansoni coup transcription factor 0.001 0.0037 0.0037
Echinococcus multilocularis GPCR, family 2 0.0016 0.0131 0.0095
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0037 0.0191
Schistosoma mansoni egf-like domain protein 0.0014 0.0092 0.0092
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0615 1
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0014 0.0102 0.0546
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0097 0.0097
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0037 0.0037
Brugia malayi nuclear receptor NHR-88 0.001 0.0037 0.0122
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0014 0.0102 0.0095
Leishmania major phospholipase c-like protein 0.0022 0.0219 0.1637
Schistosoma mansoni microtubule-associated protein tau 0.0675 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0102 0.0546
Loa Loa (eye worm) hypothetical protein 0.0018 0.0153 0.0508
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0021 0.0201 0.0802
Trichomonas vaginalis casein kinase II beta chain, putative 0.0071 0.0959 0.7155
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0097 0.0097
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.134 1
Onchocerca volvulus 0.0049 0.0615 0.3198
Loa Loa (eye worm) troponin I 0.011 0.153 0.508
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0615 0.2044
Echinococcus granulosus transmembrane protease serine 3 0.0014 0.0097 0.0061
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0037 0.0037
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0037 0.0122
Giardia lamblia Casein kinase II beta chain 0.0071 0.0959 0.6652
Loa Loa (eye worm) hypothetical protein 0.011 0.153 0.508
Onchocerca volvulus 0.0034 0.0394 0.2045
Plasmodium vivax casein kinase II beta chain, putative 0.0071 0.0959 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0615 1
Loa Loa (eye worm) Plcb4 protein 0.0018 0.0153 0.0508
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0131 0.0095
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0.0432 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0037 0.0122
Brugia malayi hypothetical protein 0.0014 0.0097 0.0323
Toxoplasma gondii ck2 beta subunit 0.0071 0.0959 0.1929
Loa Loa (eye worm) troponin T 0.0065 0.0862 0.2863
Toxoplasma gondii hypothetical protein 0.0034 0.0394 0.0672
Brugia malayi Troponin T 0.0065 0.0862 0.2863
Toxoplasma gondii subtilisin SUB12 0.0034 0.0394 0.0672
Schistosoma mansoni troponin I 0.011 0.153 0.153
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0014 0.0102 0.0095
Loa Loa (eye worm) hypothetical protein 0.0034 0.0394 0.1307
Brugia malayi hypothetical protein 0.0043 0.0539 0.1791
Loa Loa (eye worm) hypothetical protein 0.0049 0.0615 0.2044
Trichomonas vaginalis casein kinase II beta chain, putative 0.0021 0.0201 0.1502
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0102 0.0339
Loa Loa (eye worm) PAN domain-containing protein 0.0034 0.0394 0.1307
Trichomonas vaginalis casein kinase II beta chain, putative 0.0021 0.0201 0.1502
Schistosoma mansoni thyroid hormone receptor 0.001 0.0037 0.0037
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0102 0.0546
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0036 0.0432 0.6455
Mycobacterium ulcerans acyl-CoA synthetase 0.0014 0.0102 0.0095
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0014 0.0097 0.0097
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0014 0.0102 0.0066
Brugia malayi Troponin I 0.011 0.153 0.508
Onchocerca volvulus Troponin T, skeletal muscle homolog 0.0136 0.1924 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0097 0.0097
Trichomonas vaginalis casein kinase II beta chain, putative 0.0021 0.0201 0.1502
Loa Loa (eye worm) hypothetical protein 0.0014 0.0097 0.0323
Echinococcus multilocularis Mastin 0.0014 0.0097 0.0061
Onchocerca volvulus 0.0014 0.0097 0.0505
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0339
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0131 0.0435
Toxoplasma gondii microneme protein, putative 0.0034 0.0394 0.0672
Loa Loa (eye worm) hypothetical protein 0.0014 0.0097 0.0323
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0615 1
Brugia malayi PAN domain containing protein 0.0034 0.0394 0.1307
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0615 0.4592
Brugia malayi Variant SH3 domain containing protein 0.0129 0.182 0.6044
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0102 0.0339
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0037 0.0122
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.134 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0037 0.0122
Echinococcus granulosus laminin 0.0014 0.0092 0.0055
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0034 0.0394 0.0672
Schistosoma mansoni troponin I 0.011 0.153 0.153
Trichomonas vaginalis casein kinase II beta chain, putative 0.0021 0.0201 0.1502
Loa Loa (eye worm) hypothetical protein 0.0034 0.0394 0.1307
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0037 0.0122
Brugia malayi Troponin T 0.0065 0.0862 0.2863
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0014 0.0097 0.0097
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0037 0.0122
Mycobacterium ulcerans acyl-CoA synthetase 0.0014 0.0102 0.0095
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0014 0.0102 0.0066
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.134 1
Brugia malayi PAN domain containing protein 0.0034 0.0394 0.1307
Loa Loa (eye worm) Csnk2b protein 0.0071 0.0959 0.3185
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0102 0.0339
Onchocerca volvulus Arrow homolog 0.0014 0.0092 0.0476
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0014 0.0097 0.0061
Leishmania major acetyl-CoA synthetase, putative 0.0014 0.0102 0.0762
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0129 0.182 0.6044
Onchocerca volvulus 0.0034 0.0394 0.2045
Entamoeba histolytica hypothetical protein 0.0043 0.0539 0.3532
Schistosoma mansoni hypothetical protein 0.0043 0.0539 0.0539
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0071 0.0959 0.4983
Brugia malayi Troponin T 0.0065 0.0862 0.2863
Trichomonas vaginalis casein kinase II beta chain, putative 0.0071 0.0959 0.7155
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0014 0.0092 0.0304
Onchocerca volvulus 0.0034 0.0394 0.2045
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0052 0.0669 0.6621
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0097 0.0097
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0037 0.0122
Trichomonas vaginalis casein kinase II beta chain, putative 0.0021 0.0201 0.1502
Leishmania major phosphatidylinositol-specific phospholipase-like protein 0.0018 0.0153 0.1141
Brugia malayi Calcium binding EGF domain containing protein 0.0014 0.0092 0.0304
Loa Loa (eye worm) hypothetical protein 0.011 0.153 0.508
Loa Loa (eye worm) hypothetical protein 0.001 0.0037 0.0122
Toxoplasma gondii casein kinase ii regulatory subunit protein 0.0071 0.0959 0.1929
Toxoplasma gondii hypothetical protein 0.0034 0.0394 0.0672
Loa Loa (eye worm) hypothetical protein 0.0036 0.0432 0.1434
Trichomonas vaginalis casein kinase II beta chain, putative 0.0071 0.0959 0.7155
Mycobacterium ulcerans acyl-CoA synthetase 0.0014 0.0102 0.0095
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0607 0.4531
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0037 0.0037
Schistosoma mansoni nuclear hormone receptor 0.001 0.0037 0.0037
Echinococcus multilocularis microtubule associated protein 2 0.0675 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0092 0.0304
Mycobacterium ulcerans acyl-CoA synthetase 0.0014 0.0102 0.0095
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.0432 0.3847
Echinococcus multilocularis tissue type plasminogen activator 0.0052 0.0669 0.0635
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0014 0.0102 0.0546
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0037 0.0191
Schistosoma mansoni troponin t invertebrate 0.0136 0.1924 0.1924
Schistosoma mansoni phospholipase C beta 0.0018 0.0153 0.0153
Leishmania major protein kinase ck2 regulatory subunit, putative 0.0071 0.0959 0.7155
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0014 0.0102 0.0762
Entamoeba histolytica hypothetical protein 0.0043 0.0539 0.3532
Loa Loa (eye worm) hypothetical protein 0.0014 0.0092 0.0304
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0014 0.0092 0.0304
Onchocerca volvulus 0.0014 0.0102 0.053
Onchocerca volvulus 0.0014 0.0097 0.0505
Onchocerca volvulus 0.0019 0.0169 0.0877
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0037 0.0122
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0037 0.0122
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0014 0.0097 0.0323
Onchocerca volvulus 0.0034 0.0394 0.2045
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0014 0.0097 0.0097
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0037 0.0037
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0014 0.0102 0.0546
Trichomonas vaginalis casein kinase II beta chain, putative 0.0021 0.0201 0.1502
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0037 0.0122
Trichomonas vaginalis casein kinase II beta chain, putative 0.0021 0.0201 0.1502
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0049 0.0615 1
Echinococcus granulosus glycoprotein Antigen 5 0.0014 0.0097 0.0061
Brugia malayi PAN domain containing protein 0.0034 0.0394 0.1307
Brugia malayi Trypsin family protein 0.0014 0.0097 0.0323
Trichomonas vaginalis protein kinase ck2-beta, putative 0.0021 0.0201 0.1502
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.0432 0.3847
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0014 0.0102 0.0095
Onchocerca volvulus 0.0014 0.0102 0.053
Brugia malayi ecdysteroid receptor 0.001 0.0037 0.0122
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0102 0.0546
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0071 0.0959 0.6921
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0402 0.6071
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0037 0.0122
Loa Loa (eye worm) PAN domain-containing protein 0.0034 0.0394 0.1307
Loa Loa (eye worm) hypothetical protein 0.0034 0.0394 0.1307
Trichomonas vaginalis casein kinase II beta chain, putative 0.0071 0.0959 0.7155
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0037 0.0037
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0174 0.2487 0.246
Brugia malayi PAN domain containing protein 0.0034 0.0394 0.1307
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0014 0.0102 0.0095
Loa Loa (eye worm) hypothetical protein 0.0014 0.0097 0.0323
Loa Loa (eye worm) hypothetical protein 0.0052 0.0669 0.2223
Schistosoma mansoni thyroid hormone receptor 0.001 0.0037 0.0037
Trichomonas vaginalis antibiotic synthetase, putative 0.0014 0.0102 0.0762
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0014 0.0097 0.0097
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0208 0.3011 1
Entamoeba histolytica hypothetical protein 0.0043 0.0539 0.3532
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0037 0.0122
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0539 0.0539
Echinococcus multilocularis casein kinase ii subunit beta 0.0071 0.0959 0.0925
Schistosoma mansoni troponin I 0.011 0.153 0.153
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0037 0.0122
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0412 0.1369
Loa Loa (eye worm) hypothetical protein 0.0036 0.0432 0.1434
Loa Loa (eye worm) phosphatidylinositol-specific phospholipase C 0.0019 0.0169 0.0561
Brugia malayi PAN domain containing protein 0.0034 0.0394 0.1307
Echinococcus granulosus Tolloid protein 1 0.0014 0.0092 0.0055
Onchocerca volvulus 0.001 0.0037 0.0191
Toxoplasma gondii microneme protein MIC4 0.0034 0.0394 0.0672
Loa Loa (eye worm) hypothetical protein 0.0049 0.0615 0.2044
Echinococcus multilocularis Tolloid protein 1 0.0014 0.0092 0.0055
Toxoplasma gondii microneme protein MIC17C 0.0034 0.0394 0.0672
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0037 0.0037
Onchocerca volvulus 0.0014 0.0097 0.0505
Plasmodium falciparum casein kinase II beta chain 0.0071 0.0959 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0097 0.134 0.6964
Onchocerca volvulus 0.0052 0.0669 0.3479
Echinococcus multilocularis troponin i 0.011 0.153 0.1498
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0014 0.0097 0.0323
Loa Loa (eye worm) hypothetical protein 0.0014 0.0097 0.0323
Loa Loa (eye worm) PAN domain-containing protein 0.0034 0.0394 0.1307
Mycobacterium ulcerans acyl-CoA synthetase 0.0014 0.0102 0.0095
Loa Loa (eye worm) hypothetical protein 0.0036 0.0432 0.1434
Loa Loa (eye worm) hypothetical protein 0.0065 0.0862 0.2863
Echinococcus granulosus troponin i 0.011 0.153 0.1498
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0102 0.0339
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0097 0.0097
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0071 0.0959 0.6921
Loa Loa (eye worm) hypothetical protein 0.001 0.0037 0.0122
Entamoeba histolytica serine/threonine protein kinase, putative 0.0097 0.134 1
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0102 0.0339
Trichomonas vaginalis casein kinase II beta chain, putative 0.0021 0.0201 0.1502
Loa Loa (eye worm) hypothetical protein 0.0014 0.0092 0.0304
Trichomonas vaginalis casein kinase II beta chain, putative 0.0071 0.0959 0.7155
Toxoplasma gondii kringle domain-containing protein 0.0052 0.0669 0.1285
Schistosoma mansoni hypothetical protein 0.0016 0.0131 0.0131
Brugia malayi Protein kinase domain containing protein 0.0052 0.0669 0.2223
Brugia malayi Trypsin family protein 0.0014 0.0097 0.0323
Trichomonas vaginalis casein kinase II beta chain, putative 0.0021 0.0201 0.1502
Entamoeba histolytica acyl-CoA synthetase, putative 0.0049 0.0615 0.4146
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0037 0.0122
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0014 0.0102 0.0762
Loa Loa (eye worm) hypothetical protein 0.0014 0.0092 0.0304
Trichomonas vaginalis casein kinase II beta chain, putative 0.0071 0.0959 0.7155
Mycobacterium ulcerans acyl-CoA synthetase 0.0014 0.0102 0.0095
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0014 0.0102 0.0095
Echinococcus granulosus enteropeptidase 0.0014 0.0097 0.0061
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0014 0.0097 0.0061
Onchocerca volvulus 0.0014 0.0097 0.0505
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0607 0.4531
Loa Loa (eye worm) hypothetical protein 0.001 0.0037 0.0122
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0037 0.0122
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0014 0.0102 0.0095
Loa Loa (eye worm) hypothetical protein 0.0016 0.0131 0.0435
Plasmodium falciparum phosphoinositide-specific phospholipase C 0.0018 0.0153 0.0593
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0402 0.6071
Brugia malayi casein kinase II, putaitve 0.0021 0.0201 0.0669
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0049 0.0615 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0014 0.0102 0.0023
Echinococcus multilocularis laminin 0.0014 0.0092 0.0055
Echinococcus multilocularis fibrillin 1 0.0014 0.0092 0.0055
Trichomonas vaginalis antibiotic synthetase, putative 0.0014 0.0102 0.0762
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0071 0.0959 0.6921
Schistosoma mansoni casein kinase II beta subunit 0.0071 0.0959 0.0959
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0037 0.0122
Loa Loa (eye worm) hypothetical protein 0.0019 0.0169 0.0561
Trichomonas vaginalis casein kinase II beta chain, putative 0.0071 0.0959 0.7155
Trichomonas vaginalis casein kinase II beta chain, putative 0.0071 0.0959 0.7155
Schistosoma mansoni hypothetical protein 0.0016 0.0131 0.0131
Toxoplasma gondii PAN domain-containing protein 0.0314 0.4587 1
Schistosoma mansoni acetyl-CoA synthetase 0.0014 0.0102 0.0102
Brugia malayi Csnk2b protein 0.0071 0.0959 0.3185
Trypanosoma brucei phosphoinositide-specific phospholipase C 0.0019 0.0169 0.126
Trichomonas vaginalis casein kinase II beta chain, putative 0.0071 0.0959 0.7155
Loa Loa (eye worm) PAN domain-containing protein 0.0034 0.0394 0.1307
Trypanosoma brucei Casein kinase II subunit beta, putative 0.0071 0.0959 0.7155
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0014 0.0102 0.0546
Onchocerca volvulus 0.0034 0.0394 0.2045
Brugia malayi Trypsin-like protease protein 5 0.0014 0.0097 0.0323
Echinococcus granulosus tissue type plasminogen activator 0.0052 0.0669 0.0635
Toxoplasma gondii propionate-CoA ligase 0.0014 0.0102 0.0023
Brugia malayi phospholipase C homolog 0.0011 0.0058 0.0191
Leishmania major acetyl-CoA synthetase, putative 0.0014 0.0102 0.0762
Toxoplasma gondii PAN domain-containing protein 0.0034 0.0394 0.0672
Schistosoma mansoni hypothetical protein 0.0016 0.0131 0.0131
Schistosoma mansoni kinase 0.0049 0.0626 0.0626
Loa Loa (eye worm) hypothetical protein 0.001 0.0037 0.0122
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0049 0.0615 1
Brugia malayi PAN domain containing protein 0.0034 0.0394 0.1307
Toxoplasma gondii phosphoinositide phospholipase PIPLC 0.0019 0.0169 0.0172
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0037 0.0037
Echinococcus multilocularis transmembrane protease serine 3 0.0014 0.0097 0.0061
Onchocerca volvulus Troponin T, skeletal muscle homolog 0.0065 0.0862 0.448
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0655 0.2174
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.134 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0102 0.0339
Brugia malayi Troponin family protein 0.011 0.153 0.508
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0102 0.0546
Onchocerca volvulus 0.0034 0.0394 0.2045
Giardia lamblia Kinase, PLK 0.0097 0.134 1
Leishmania major phosphoinositide-specific phospholipase C, putative 0.0018 0.0153 0.1141
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0615 0.2044
Onchocerca volvulus 0.0034 0.0394 0.2045
Echinococcus granulosus 1-Phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta-4 0.0019 0.0169 0.0132
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0097 0.134 0.1308
Trichomonas vaginalis casein kinase II beta chain, putative 0.0021 0.0201 0.1502
Trypanosoma brucei polo-like protein kinase 0.0097 0.134 1
Onchocerca volvulus 0.0019 0.0169 0.0877
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0049 0.0615 1
Schistosoma mansoni hypothetical protein 0.0052 0.0669 0.0669
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0097 0.134 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0014 0.0097 0.0097
Brugia malayi Kringle domain containing protein 0.0052 0.0669 0.2223
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0014 0.0097 0.0097
Schistosoma mansoni hypothetical protein 0.0035 0.0412 0.0412
Loa Loa (eye worm) TK/ROR protein kinase 0.0052 0.0669 0.2223
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0014 0.0102 0.0762
Loa Loa (eye worm) hypothetical protein 0.0014 0.0092 0.0304
Loa Loa (eye worm) hypothetical protein 0.0014 0.0097 0.0323
Entamoeba histolytica acyl-CoA synthetase, putative 0.0049 0.0615 0.4146

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 51.01 uM PubChem BioAssay. Cytotoxicity (24 hours) Measured in Cell-Based System Using Plate Reader - 2137-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.2213 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) 11.6891 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) 12.9953 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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