Detailed information for compound 794832

Basic information

Technical information
  • TDR Targets ID: 794832
  • Name: [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyr azol-1-yl]-(2-methylphenyl)methanone
  • MW: 328.793 | Formula: C18H17ClN2O2
  • H donors: 1 H acceptors: 2 LogP: 3.48 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C1(O)CC(=NN1C(=O)c1ccccc1C)C
  • InChi: 1S/C18H17ClN2O2/c1-12-5-3-4-6-16(12)17(22)21-18(23,11-13(2)20-21)14-7-9-15(19)10-8-14/h3-10,23H,11H2,1-2H3
  • InChiKey: UACMOMUELXZGGL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • A1275/0058320
  • Oprea1_185962
  • Oprea1_869668
  • BAS 00630951

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
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
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0595 0.1265
Trypanosoma brucei glucose transporter, putative 0.0031 0.0604 0.8107
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0101 0.2252 0.4787
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0014 0.02 0.2954
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0153 0.0677
Brugia malayi ecdysteroid receptor 0.0012 0.0153 0.0677
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0023 0.0397 0.3046
Trypanosoma brucei glucose transporter, putative 0.0031 0.0604 0.8107
Loa Loa (eye worm) hypothetical protein 0.0006 0.0016 0.0073
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0153 0.0324
Mycobacterium ulcerans sugar transporter 0.0014 0.02 0.2954
Leishmania major lysyl-tRNA synthetase, putative 0.0023 0.0397 0.395
Trypanosoma brucei THT1 - hexose transporter, putative 0.0031 0.0604 0.8107
Echinococcus granulosus solute carrier family 22 0.0014 0.02 0.0424
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0153 0.0324
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0101 0.2252 0.4787
Onchocerca volvulus 0.0014 0.02 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0153 0.0677
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0014 0.02 0.2954
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0604 0.1973
Brugia malayi Cam kinase protein 1 0.0031 0.0595 0.2643
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0031 0.0595 0.2643
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.003 0.058 0.1855
Schistosoma mansoni glucose transport protein 0.0101 0.2252 0.4787
Loa Loa (eye worm) hypothetical protein 0.0012 0.0153 0.0677
Loa Loa (eye worm) sugar transporter 0.0014 0.02 0.0886
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0035 0.0699 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0153 0.0677
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0153 0.0324
Loa Loa (eye worm) hypothetical protein 0.0012 0.0153 0.0677
Schistosoma mansoni sugar transporter 0.0014 0.02 0.0424
Schistosoma mansoni protein kinase 0.0031 0.0595 0.1265
Schistosoma mansoni protein kinase 0.0031 0.0595 0.1265
Schistosoma mansoni glucose transport protein 0.0101 0.2252 0.4787
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0163 0.3723 0.5495
Loa Loa (eye worm) hypothetical protein 0.0012 0.0153 0.0677
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0035 0.0699 1
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.02 0.0886
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0153 0.0677
Toxoplasma gondii protein kinase, putative 0.0285 0.6611 1
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0163 0.3723 0.3595
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0031 0.0596 0.0617
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0604 0.1973
Trichomonas vaginalis CAMK family protein kinase 0.0031 0.0595 0.1927
Brugia malayi major facilitator superfamily protein 0.0014 0.02 0.0886
Schistosoma mansoni sugar transporter 0.0014 0.02 0.0424
Leishmania major glucose transporter, lmgt1 0.0031 0.0604 0.8107
Giardia lamblia Prolyl-tRNA synthetase 0.003 0.058 1
Plasmodium falciparum calcium-dependent protein kinase 5 0.0031 0.0596 0.0404
Toxoplasma gondii lysine-tRNA ligase 0.0023 0.0397 0.0308
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0031 0.0596 0.0617
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.003 0.058 0.1234
Loa Loa (eye worm) hypothetical protein 0.0031 0.0595 0.2643
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0035 0.0699 0.0779
Onchocerca volvulus 0.0014 0.02 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0153 0.0677
Onchocerca volvulus 0.0014 0.02 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0016 0.0073
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0153 0.0677
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0035 0.0699 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0031 0.0604 0.8107
Trypanosoma cruzi hexose transporter, putative 0.0031 0.0604 0.8107
Trypanosoma brucei glucose transporter 1E 0.0031 0.0604 0.8107
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.2252 1
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.02 0.0886
Plasmodium vivax calcium-dependent protein kinase, putative 0.0031 0.0596 0.0404
Loa Loa (eye worm) hypothetical protein 0.0023 0.0397 0.1762
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.2252 0.4787
Brugia malayi hypothetical protein 0.0006 0.0016 0.0073
Schistosoma mansoni hypothetical protein 0.0101 0.2252 0.4787
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0153 0.0324
Loa Loa (eye worm) hypothetical protein 0.0014 0.02 0.0886
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0153 0.0677
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.003 0.058 0.9253
Giardia lamblia Lysyl-tRNA synthetase 0.0023 0.0397 0.5182
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0016 0.0035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0153 0.0677
Onchocerca volvulus 0.0014 0.02 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0153 0.0677
Echinococcus multilocularis geminin 0.0205 0.4704 1
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0031 0.0596 0.0404
Loa Loa (eye worm) hypothetical protein 0.003 0.058 0.2577
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0153 0.0324
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0153 0.0677
Loa Loa (eye worm) hypothetical protein 0.0006 0.0016 0.0073
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0153 0.0677
Entamoeba histolytica protein kinase, putative 0.0031 0.0595 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.02 0.0886
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0153 0.0677
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0604 0.1973
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0153 0.0324
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0153 0.0677
Echinococcus multilocularis lysyl tRNA synthetase 0.0023 0.0397 0.0844
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0153 0.0324
Loa Loa (eye worm) hypothetical protein 0.0014 0.02 0.0886
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.02 0.0886
Onchocerca volvulus 0.0014 0.02 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0153 0.0324
Echinococcus multilocularis solute carrier family 22 0.0014 0.02 0.0424
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0019 0.0317 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0595 0.1265
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0153 0.0677
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0153 0.0324
Echinococcus granulosus synaptic vesicle 2 protein 0.0014 0.02 0.0424
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0595 0.1265
Echinococcus granulosus calcium dependent protein kinase 0.0029 0.055 0.1169
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0595 0.1265
Leishmania major glucose transporter, lmgt3 0.0031 0.0604 0.8107
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.2252 0.4787
Treponema pallidum prolyl-tRNA synthetase 0.0011 0.0117 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0153 0.0324
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0153 0.0677
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0023 0.0397 0.395
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0031 0.0596 0.0404
Echinococcus granulosus Sugar transporter ERD6 protein 0.0014 0.02 0.0424
Brugia malayi Sugar transporter family protein 0.0014 0.02 0.0886
Trichomonas vaginalis glucose transporter, putative 0.0031 0.0604 0.1973
Echinococcus granulosus solute carrier family 22 0.0014 0.02 0.0424
Trypanosoma brucei glucose transporter, putative 0.0031 0.0604 0.8107
Plasmodium vivax lysine--tRNA ligase, putative 0.0023 0.0397 0.0201
Loa Loa (eye worm) hypothetical protein 0.0012 0.0153 0.0677
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0023 0.0397 0.395
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0016 0.0073
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0397 1
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0153 0.0324
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0035 0.0699 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0153 0.0677
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0153 0.0324
Onchocerca volvulus 0.0014 0.02 1
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0031 0.0596 0.0404
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0153 0.0324
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0595 0.1265
Echinococcus multilocularis synaptic vesicle 2 protein 0.0014 0.02 0.0424
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.003 0.058 0.1234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0153 0.0677
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0153 0.0677
Echinococcus granulosus solute carrier family 22 0.0014 0.02 0.0424
Schistosoma mansoni glucose transporter 0.0014 0.02 0.0424
Echinococcus multilocularis solute carrier family 22 0.0014 0.02 0.0424
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0153 0.764
Mycobacterium ulcerans integral membrane transport protein 0.0014 0.02 0.2954
Brugia malayi hypothetical protein 0.0014 0.02 0.0886
Loa Loa (eye worm) hypothetical protein 0.003 0.058 0.2577
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0153 0.0324
Loa Loa (eye worm) hypothetical protein 0.0014 0.02 0.0886
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0101 0.2252 0.4787
Leishmania major glucose transporter/membrane transporter D2, putative 0.0031 0.0604 0.8107
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0031 0.0595 0.7919
Loa Loa (eye worm) hypothetical protein 0.0014 0.02 0.0886
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.003 0.058 0.2577
Brugia malayi nuclear receptor RXR 0.0006 0.0016 0.0073
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.003 0.058 0.1234
Leishmania major protein kinase, putative 0.0031 0.0595 0.7919
Onchocerca volvulus 0.0014 0.02 1
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0397 0.0844
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.002 0.0331 0.0641
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0012 0.0158 0.0701
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.003 0.058 0.1234
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0153 0.0677
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0019 0.0317 1
Plasmodium falciparum protein kinase 7 0.0285 0.6611 0.6542
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0595 0.1265
Schistosoma mansoni coup transcription factor 0.0012 0.0153 0.0324
Onchocerca volvulus 0.0014 0.02 1
Brugia malayi hypothetical protein 0.0014 0.02 0.0886
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0595 0.1265
Trypanosoma brucei glucose transporter, putative 0.0031 0.0604 0.8107
Loa Loa (eye worm) hypothetical protein 0.0012 0.0153 0.0677
Onchocerca volvulus Putative transporter 0.0014 0.02 1
Onchocerca volvulus 0.0012 0.0153 0.764
Onchocerca volvulus 0.0014 0.02 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0153 0.0677
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.2252 0.4787
Plasmodium falciparum lysine--tRNA ligase 0.0023 0.0397 0.0201
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0153 0.0324
Chlamydia trachomatis lysine--tRNA ligase 0.0023 0.0397 1
Echinococcus multilocularis solute carrier family 22 0.0014 0.02 0.0424
Plasmodium falciparum mitogen-activated protein kinase 2 0.0163 0.3723 0.3595
Echinococcus granulosus solute carrier family 22 0.0014 0.02 0.0424
Echinococcus multilocularis solute carrier family 22 0.0014 0.02 0.0424
Onchocerca volvulus 0.0014 0.02 1
Brugia malayi Sugar transporter family protein 0.0101 0.2252 1
Brugia malayi hypothetical protein 0.0014 0.02 0.0886
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0153 0.0324
Schistosoma mansoni hypothetical protein 0.0205 0.4704 1
Trypanosoma brucei glucose transporter, putative 0.0031 0.0604 0.8107
Echinococcus granulosus General substrate transporter 0.0087 0.1916 0.4073
Trypanosoma cruzi hexose transporter, putative 0.0031 0.0604 0.8107
Loa Loa (eye worm) hypothetical protein 0.0006 0.0016 0.0073
Brugia malayi lysyl-tRNA synthetase 0.0023 0.0397 0.1762
Plasmodium vivax proline--tRNA ligase, putative 0.0035 0.0699 0.051
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0035 0.0699 1
Trichomonas vaginalis glucose transporter, putative 0.0031 0.0604 0.1973
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0397 1
Echinococcus granulosus lysyl tRNA synthetase 0.0023 0.0397 0.0844
Loa Loa (eye worm) hypothetical protein 0.0012 0.0153 0.0677
Plasmodium falciparum proline--tRNA ligase 0.0035 0.0699 0.051
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0016 0.0073
Trypanosoma cruzi hexose transporter 0.0031 0.0604 0.8107
Loa Loa (eye worm) hypothetical protein 0.0014 0.02 0.0886
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0153 0.0677
Loa Loa (eye worm) hypothetical protein 0.0014 0.02 0.0886
Schistosoma mansoni protein kinase 0.0031 0.0595 0.1265
Plasmodium falciparum calcium-dependent protein kinase 3 0.0031 0.0596 0.0404
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0031 0.0595 0.2643
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0153 0.0324
Echinococcus granulosus geminin 0.0205 0.4704 1
Trypanosoma brucei glucose transporter, putative 0.0031 0.0604 0.8107
Loa Loa (eye worm) hypothetical protein 0.0014 0.02 0.0886
Loa Loa (eye worm) hypothetical protein 0.0014 0.02 0.0886
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0153 0.0324
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0153 0.0677
Trypanosoma brucei glucose transporter 2A 0.0031 0.0604 0.8107
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0016 0.0035
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0153 0.0324
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0014 0.02 0.0424
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0016 0.0035
Loa Loa (eye worm) sugar transporter 0.0101 0.2252 1
Schistosoma mansoni hypothetical protein 0.0205 0.4704 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0153 0.764
Onchocerca volvulus 0.0014 0.02 1
Brugia malayi nuclear hormone receptor 0.0012 0.0153 0.0677
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0153 0.0324
Loa Loa (eye worm) hypothetical protein 0.0014 0.02 0.0886
Loa Loa (eye worm) hypothetical protein 0.0014 0.02 0.0886
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.02 0.0886
Loa Loa (eye worm) hypothetical protein 0.0014 0.02 0.0886
Schistosoma mansoni glucose transport protein 0.0101 0.2252 0.4787
Brugia malayi nuclear receptor NHR-88 0.0012 0.0153 0.0677
Onchocerca volvulus 0.0014 0.02 1
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0604 0.1973
Plasmodium falciparum calcium-dependent protein kinase 4 0.0031 0.0596 0.0404
Brugia malayi hypothetical protein 0.0006 0.0016 0.0073
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0595 0.1265
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0153 0.0324
Plasmodium falciparum calcium-dependent protein kinase 2 0.0031 0.0596 0.0404
Schistosoma mansoni sugar transporter 0.0014 0.02 0.0424
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.2252 0.4787
Entamoeba histolytica protein kinase, putative 0.0031 0.0595 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0016 0.0035
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0153 0.0324
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0153 0.0324
Plasmodium vivax hexose transporter 0.0101 0.2252 0.2094
Echinococcus multilocularis General substrate transporter 0.0087 0.1916 0.4073
Brugia malayi steroid hormone receptor 0.0012 0.0153 0.0677
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0153 0.0677
Onchocerca volvulus 0.0014 0.02 1
Plasmodium vivax CDK-related protein kinase 6, putative 0.0429 1 1
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0397 0.0844
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.003 0.058 0.2577
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0101 0.2252 0.4787
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0153 0.0324
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0153 0.0324
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0153 0.0677
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0153 0.0324
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0153 0.0677
Brugia malayi Sugar transporter family protein 0.0014 0.02 0.0886
Loa Loa (eye worm) hypothetical protein 0.0025 0.0446 0.198
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0153 0.0324
Loa Loa (eye worm) hypothetical protein 0.0014 0.02 0.0886
Onchocerca volvulus 0.0014 0.02 1
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0031 0.0596 0.0617
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0031 0.0595 0.1265
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.02 0.0886
Loa Loa (eye worm) hypothetical protein 0.0014 0.02 0.0886
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0604 0.1973
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0016 0.0073
Schistosoma mansoni sugar transporter 0.0014 0.02 0.0424
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0023 0.0397 0.0961
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0031 0.0595 0.2643
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0153 0.764
Brugia malayi major facilitator superfamily protein 0.0014 0.02 0.0886
Onchocerca volvulus 0.0014 0.02 1
Trypanosoma brucei glucose transporter, putative 0.0031 0.0604 0.8107
Echinococcus multilocularis calcium dependent protein kinase 0.0029 0.055 0.1169
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.003 0.058 1
Trypanosoma brucei glucose transporter, putative 0.0031 0.0604 0.8107
Trypanosoma brucei THT1 - hexose transporter, putative 0.0031 0.0604 0.8107
Loa Loa (eye worm) hypothetical protein 0.0014 0.02 0.0886
Trypanosoma cruzi hexose transporter, putative 0.0031 0.0604 0.8107
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0153 0.0677
Plasmodium falciparum hexose transporter 0.0101 0.2252 0.2094
Trypanosoma cruzi hexose transporter, putative 0.0017 0.0269 0.1383
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0014 0.02 0.5
Onchocerca volvulus 0.0014 0.02 1
Plasmodium falciparum calcium-dependent protein kinase 1 0.0031 0.0596 0.0404
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0153 0.0324
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0153 0.0324
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0153 0.0324
Toxoplasma gondii facilitative glucose transporter GT1 0.0101 0.2252 0.3201
Loa Loa (eye worm) hypothetical protein 0.0006 0.0016 0.0073
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0014 0.02 0.0424
Leishmania major glucose transporter, lmgt2 0.0031 0.0604 0.8107

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 16.3601 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) 29.0929 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 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) 100 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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