Detailed information for compound 1296405

Basic information

Technical information
  • TDR Targets ID: 1296405
  • Name: 3-Methoxy-10-methyl-10H-9-thia-10-aza-phenant hrene 9,9-dioxide
  • MW: 275.323 | Formula: C14H13NO3S
  • H donors: 0 H acceptors: 2 LogP: 2.3 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c1ccccc1S(=O)(=O)N2C
  • InChi: 1S/C14H13NO3S/c1-15-13-8-7-10(18-2)9-12(13)11-5-3-4-6-14(11)19(15,16)17/h3-9H,1-2H3
  • InChiKey: GKLWAXSCOVOGHR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • BAS 01125846
  • Oprea1_573059
  • MLS000564094
  • SMR000151644
  • Oprea1_197522
  • T0502-9813
  • ZINC00264486
  • Enamine_001028

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum expressed protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Trypanosoma brucei CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania mexicana serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Serine/threonine-protein kinase minibrain, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Echinococcus granulosus dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
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 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0013 0.0239 0.03
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0013 0.0239 0.03
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2585 0.6459
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.05 0.0985
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.1346 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0486 0.3615
Brugia malayi Cathepsin L-like precursor 0.0019 0.0486 0.0732
Echinococcus multilocularis dna polymerase eta 0.002 0.05 0.0618
Echinococcus granulosus cathepsin L 0.001 0.0124 0.0129
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0486 0.3615
Schistosoma mansoni cpg binding protein 0.0031 0.0954 0.121
Onchocerca volvulus 0.0019 0.0486 0.047
Onchocerca volvulus 0.0019 0.0486 0.047
Entamoeba histolytica protein kinase, putative 0.0108 0.3934 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1346 0.2314
Echinococcus granulosus cathepsin L cysteine proteinase 0.0019 0.0486 0.0601
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0095 0.0091
Schistosoma mansoni cathepsin F (C01 family) 0.0013 0.024 0.0279
Schistosoma mansoni cytochrome P450 0.0013 0.0239 0.0278
Schistosoma mansoni hypothetical protein 0.0205 0.7704 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.05 0.0618
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.0124 0.0924
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0486 0.3615
Leishmania major cathepsin L-like protease 0.0073 0.2585 0.6349
Brugia malayi Cathepsin L-like precursor 0.0019 0.0486 0.0732
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.1917 1
Leishmania major cathepsin L-like protease 0.0019 0.0486 0.0671
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.05 0.0985
Brugia malayi beta-lactamase family protein 0.0041 0.1346 0.2321
Brugia malayi Cathepsin L-like precursor 0.0013 0.024 0.0275
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.1346 1
Echinococcus granulosus dual specificity 0.0108 0.3934 0.5091
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0486 0.0601
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.05 0.0985
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.05 0.0985
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0067 0.2338 0.5811
Onchocerca volvulus Cathepsin F homolog 0.0019 0.0486 0.047
Echinococcus granulosus dna polymerase eta 0.002 0.05 0.0618
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0486 0.3615
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0019 0.0486 1
Onchocerca volvulus 0.0041 0.1346 0.2103
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.2585 0.6459
Mycobacterium ulcerans DNA polymerase IV 0.002 0.05 0.2357
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0019 0.0486 0.0724
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0239 0.0265
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2717 0.3505
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2717 0.4853
Onchocerca volvulus 0.0041 0.1346 0.2103
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.189 0.2428
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.189 0.2428
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2585 0.6459
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0486 0.3615
Brugia malayi Cathepsin L-like cysteine proteinase 0.0013 0.024 0.0275
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0124 0.0129
Entamoeba histolytica hypothetical protein 0.0043 0.1431 0.3428
Echinococcus multilocularis dual specificity 0.0108 0.3934 0.5091
Loa Loa (eye worm) ctsf protein 0.0019 0.0486 0.0724
Onchocerca volvulus 0.003 0.0889 0.1235
Trypanosoma cruzi cytochrome P450, putative 0.0013 0.0239 0.03
Leishmania major cathepsin L-like protease 0.0019 0.0486 0.0671
Entamoeba histolytica hypothetical protein 0.0043 0.1431 0.3428
Trypanosoma brucei unspecified product 0.0013 0.0264 0.0366
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.1346 0.172
Brugia malayi Papain family cysteine protease containing protein 0.001 0.0124 0.0062
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2717 0.3505
Echinococcus multilocularis cathepsin L 0.001 0.0124 0.0129
Trypanosoma cruzi major cysteine proteinase, putative 0.0057 0.1976 0.486
Echinococcus multilocularis dna polymerase kappa 0.002 0.05 0.0618
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.05 0.0985
Entamoeba histolytica hypothetical protein 0.0043 0.1431 0.3428
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.05 0.0985
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0124 0.0129
Plasmodium vivax vivapain-2 0.0019 0.0486 0.2965
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0486 0.3615
Brugia malayi Papain family cysteine protease containing protein 0.001 0.0124 0.0062
Echinococcus granulosus cathepsin l cysteine peptidase 0.0019 0.0486 0.0601
Brugia malayi Cytochrome P450 family protein 0.0013 0.0239 0.0274
Entamoeba histolytica hypothetical protein 0.0108 0.3934 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2585 0.6459
Brugia malayi beta-lactamase 0.0041 0.1346 0.2321
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0486 0.3615
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.1346 1
Mycobacterium leprae conserved hypothetical protein 0.0041 0.1346 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.05 0.0985
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0013 0.024 0.178
Trypanosoma cruzi cruzipain precursor, putative 0.0073 0.2585 0.6459
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.2585 0.6459
Loa Loa (eye worm) hypothetical protein 0.0041 0.1346 0.2314
Onchocerca volvulus 0.0019 0.0486 0.047
Brugia malayi hypothetical protein 0.0148 0.5498 1
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.05 0.3712
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0486 0.3615
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0486 0.0601
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0013 0.0239 0.03
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0486 0.3615
Echinococcus granulosus cathepsin l1 0.0013 0.024 0.0279
Loa Loa (eye worm) hypothetical protein 0.0013 0.024 0.0267
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0486 0.3615
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.05 0.0985
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2717 0.3505
Echinococcus multilocularis cysteine protease 0.0019 0.0486 0.0601
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.1346 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.5498 1
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0486 0.095
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.189 0.3327
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.1346 0.1134
Entamoeba histolytica cysteine protease, putative 0.0019 0.0486 0.095
Brugia malayi Cathepsin L-like precursor 0.0013 0.024 0.0275
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.1346 0.2321
Leishmania major DNA polymerase kappa, putative 0.002 0.05 0.0706
Entamoeba histolytica cysteine proteinase, putative 0.0013 0.024 0.0302
Leishmania major cathepsin L-like protease 0.0073 0.2585 0.6349
Echinococcus granulosus dna polymerase kappa 0.002 0.05 0.0618
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0486 0.3615
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.0124 0.0924
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0108 0.3934 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2717 0.4857
Leishmania major hypothetical protein, conserved 0.0041 0.1346 0.2995
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.05 0.0985
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0013 0.024 0.178
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.2177 0.2803
Toxoplasma gondii cathepsin CPL 0.0019 0.0486 0.1477
Echinococcus granulosus cathepsin L cysteine protease 0.001 0.0124 0.0129
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2585 0.6459
Loa Loa (eye worm) hypothetical protein 0.0013 0.024 0.0267
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0486 0.3615
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1431 0.183
Loa Loa (eye worm) cysteine protease 0.0019 0.0486 0.0724
Onchocerca volvulus Huntingtin homolog 0.0148 0.5498 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.05 0.0618
Schistosoma mansoni hypothetical protein 0.0043 0.1431 0.183
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0019 0.0486 1
Entamoeba histolytica hypothetical protein 0.0043 0.1431 0.3428
Loa Loa (eye worm) RNA binding protein 0.0076 0.2717 0.4853
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.05 0.0756
Loa Loa (eye worm) hypothetical protein 0.0107 0.3913 0.7066
Brugia malayi cathepsin L-like precursor 0.0013 0.024 0.0275
Mycobacterium tuberculosis Conserved protein 0.0041 0.1346 0.1134
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2585 0.6459
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.05 0.0618
Echinococcus granulosus cytochrome P450 2K1 0.0013 0.0239 0.0278
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0486 0.3615
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0108 0.3934 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0019 0.0486 0.3615
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0889 0.1469
Trypanosoma cruzi cytochrome P450, putative 0.0013 0.0239 0.03
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.1346 0.172
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2717 0.3505
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.189 0.2428
Schistosoma mansoni hypothetical protein 0.0013 0.0239 0.0278
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.05 0.0267
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.1346 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0264 0.0366
Mycobacterium ulcerans hypothetical protein 0.0041 0.1346 1
Brugia malayi Cathepsin L-like precursor 0.0019 0.0486 0.0732
Brugia malayi Cytochrome P450 family protein 0.0013 0.0239 0.0274
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.05 0.0985
Loa Loa (eye worm) hypothetical protein 0.0041 0.1346 0.2314
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.189 0.3321
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.3934 0.5091
Loa Loa (eye worm) hypothetical protein 0.0148 0.5498 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.024 0.0267
Plasmodium vivax hypothetical protein, conserved 0.0041 0.1346 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.189 0.2428
Schistosoma mansoni cpg binding protein 0.0031 0.0954 0.121
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.2032 0.3585
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0124 0.0129
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.1346 0.1134
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.1346 0.1134
Leishmania major DNA polymerase eta, putative 0.002 0.05 0.0706
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.1346 0.3205
Onchocerca volvulus 0.0019 0.0486 0.047
Trichomonas vaginalis esterase, putative 0.0041 0.1346 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1346 0.2314
Echinococcus granulosus geminin 0.0205 0.7704 1
Schistosoma mansoni hypothetical protein 0.0205 0.7704 1
Onchocerca volvulus 0.0041 0.1346 0.2103
Mycobacterium leprae Probable lipase LipE 0.0041 0.1346 1
Loa Loa (eye worm) cytochrome P450 0.0013 0.0239 0.0265
Entamoeba histolytica protein kinase domain containing protein 0.0108 0.3934 1
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.05 0.0985
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.05 0.0748
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0486 0.3615
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0486 0.0601
Leishmania major cathepsin L-like protease 0.0019 0.0486 0.0671
Schistosoma mansoni cpg binding protein 0.003 0.0889 0.1125
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.1346 0.172
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.05 0.3712
Leishmania major cysteine peptidase A (CPA) 0.0019 0.0486 0.0671
Echinococcus multilocularis cysteine protease 0.0019 0.0486 0.0601
Plasmodium falciparum cysteine proteinase falcipain 3 0.0019 0.0486 1
Onchocerca volvulus Cathepsin L homolog 0.0019 0.0486 0.047
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.3934 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2717 0.4853
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.1346 0.1134
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.1346 0.3205
Brugia malayi Cathepsin L-like precursor 0.0019 0.0486 0.0732
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.05 0.0985
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0108 0.3934 0.7106
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0486 0.3615
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0486 0.0601
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0486 0.3615
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.189 0.2428
Leishmania major cathepsin L-like protease 0.0019 0.0486 0.0671
Brugia malayi Cathepsin L-like precursor 0.0019 0.0486 0.0732
Brugia malayi Protein kinase domain containing protein 0.0108 0.3934 0.7109
Brugia malayi Cytochrome P450 family protein 0.0059 0.2032 0.3591
Schistosoma mansoni DNA polymerase eta 0.002 0.05 0.0618
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.05 0.0985
Loa Loa (eye worm) CYP4Cod1 0.0013 0.0239 0.0265
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0486 0.0601
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.1346 0.1134
Mycobacterium ulcerans lipase LipD 0.0041 0.1346 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.05 0.0985
Leishmania major cathepsin L-like protease 0.0019 0.0486 0.0671
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0264 0.0366
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0486 0.3615
Echinococcus granulosus tar DNA binding protein 0.0076 0.2717 0.3505
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.1346 0.1134
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.05 0.0618
Onchocerca volvulus 0.0019 0.0486 0.047
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0239 0.0265
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0486 0.095
Onchocerca volvulus Huntingtin homolog 0.0148 0.5498 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.05 0.0706
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.1346 0.3205
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.05 0.0756
Onchocerca volvulus 0.0019 0.0486 0.047
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0486 0.3615
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.1346 1
Plasmodium vivax vivapain-2 0.0019 0.0486 0.2965
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0095 0.0091
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2585 0.6459
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0264 0.0366
Mycobacterium tuberculosis Conserved protein 0.0041 0.1346 0.1134
Brugia malayi CXXC zinc finger family protein 0.003 0.0889 0.1476
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.1346 0.1134
Trypanosoma cruzi cysteine peptidase, putative 0.0019 0.0486 0.095
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0486 0.3615
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.05 0.0985
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2585 0.6459
Toxoplasma gondii ABC1 family protein 0.0041 0.1346 0.6595
Echinococcus granulosus cathepsin l1 0.0019 0.0486 0.0601
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0486 0.0601
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0486 0.3615
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0486 0.3615
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.1346 1
Brugia malayi hypothetical protein 0.0043 0.1431 0.2478
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.05 0.0985
Brugia malayi beta-lactamase family protein 0.0041 0.1346 0.2321
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2717 0.3505
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2585 0.6459
Leishmania major cathepsin L-like protease 0.0073 0.2585 0.6349
Echinococcus multilocularis cpg binding protein 0.0031 0.0954 0.121
Brugia malayi Papain family cysteine protease containing protein 0.0019 0.0486 0.0732
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0486 0.3615
Brugia malayi RNA binding protein 0.0076 0.2717 0.4857
Mycobacterium ulcerans beta-lactamase 0.0041 0.1346 1
Entamoeba histolytica protein kinase, putative 0.0108 0.3934 1
Trypanosoma brucei unspecified product 0.002 0.05 0.0985
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1431 0.183
Loa Loa (eye worm) hypothetical protein 0.0019 0.0486 0.0724
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.1346 0.2314
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.05 0.0985
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.05 0.0267
Echinococcus multilocularis 0.0013 0.0239 0.0278
Echinococcus granulosus cpg binding protein 0.0031 0.0954 0.121
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2717 0.3505
Mycobacterium ulcerans DNA polymerase IV 0.002 0.05 0.2357
Brugia malayi Cathepsin L-like precursor 0.0019 0.0486 0.0732
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.3934 1
Loa Loa (eye worm) hypothetical protein 0.002 0.05 0.0748
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.189 0.2428
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2585 0.6459
Onchocerca volvulus Cathepsin L homolog 0.0019 0.0486 0.047
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.05 0.0985
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.189 0.2428
Brugia malayi cytochrome P450 0.0013 0.0239 0.0274
Echinococcus multilocularis geminin 0.0205 0.7704 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1431 0.183
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.05 0.0985
Loa Loa (eye worm) fibroinase 0.0019 0.0486 0.0724
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0019 0.0486 0.0724
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0019 0.0486 0.3615
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.05 0.0985
Brugia malayi TAR-binding protein 0.0076 0.2717 0.4857
Echinococcus granulosus cysteine protease 0.001 0.0124 0.0129
Loa Loa (eye worm) hypothetical protein 0.0041 0.1346 0.2314
Brugia malayi Cytochrome P450 family protein 0.0013 0.0239 0.0274
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0013 0.0239 0.03
Onchocerca volvulus 0.0019 0.0486 0.047
Giardia lamblia DINP protein human, muc B family 0.002 0.05 0.5
Trypanosoma brucei cytochrome P450, putative 0.0013 0.0239 0.03
Trypanosoma brucei unspecified product 0.0013 0.0264 0.0366
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0486 0.3615
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.1346 0.172
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2585 0.6459
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.2585 0.6459
Loa Loa (eye worm) hypothetical protein 0.0041 0.1346 0.2314
Mycobacterium tuberculosis Conserved protein 0.0041 0.1346 0.1134
Loa Loa (eye worm) beta-lactamase 0.0041 0.1346 0.2314
Loa Loa (eye worm) hypothetical protein 0.0107 0.3913 0.7066
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2585 0.6459

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (binding) = 2.318 uM PUBCHEM_BIOASSAY: MLPCN Dyrk1A Kinase Measured in Biochemical System Using Plate Reader - 2124-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504442] ChEMBL. No reference
AC50 (functional) = 7.943282347 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 14.12537545 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 14.12537545 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 0.0291 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) 0.7943 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 9.285 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) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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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