Detailed information for compound 1419645

Basic information

Technical information
  • TDR Targets ID: 1419645
  • Name: N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4 -yl]methyl]-3-phenylpropanamide
  • MW: 352.473 | Formula: C21H28N4O
  • H donors: 1 H acceptors: 3 LogP: 3.41 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCc1ccccc1)NCC1CCN(CC1)c1nc(C)cc(n1)C
  • InChi: 1S/C21H28N4O/c1-16-14-17(2)24-21(23-16)25-12-10-19(11-13-25)15-22-20(26)9-8-18-6-4-3-5-7-18/h3-7,14,19H,8-13,15H2,1-2H3,(H,22,26)
  • InChiKey: CQJGWHPBQJCLIT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]methyl]-3-phenyl-propanamide
  • N-[[1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl]methyl]-3-phenylpropanamide
  • N-[[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]methyl]-3-phenyl-propionamide
  • N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-3-phenyl-propanamide
  • N-[1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidin-4-ylmethyl]-3-phenyl-propionamide
  • SMR000000945
  • MLS000027201

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Toxoplasma gondii hypothetical protein 0.0054 0.0119 0.2553
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0136 0.0394 0.0394
Schistosoma mansoni coup transcription factor 0.0258 0.0803 0.0841
Loa Loa (eye worm) hypothetical protein 0.0046 0.0092 0.0092
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0258 0.0803 0.0841
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0042 0.0042
Schistosoma mansoni hypothetical protein 0.0032 0.0042 0.0044
Brugia malayi conserved hypotetical protein 0.0122 0.0345 0.0345
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.0875 0.0875
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0028 0.0028
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0258 0.0803 0.0803
Brugia malayi hypothetical protein 0.0122 0.0345 0.0345
Trichomonas vaginalis CAMK family protein kinase 0.0282 0.0882 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0258 0.0803 0.0803
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0104 0.0284 0.4744
Loa Loa (eye worm) hypothetical protein 0.0049 0.0102 0.0102
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0258 0.0803 0.0803
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0258 0.0803 0.0803
Loa Loa (eye worm) hypothetical protein 0.0258 0.0803 0.0803
Brugia malayi nuclear hormone receptor family member nhr-6 0.0122 0.0345 0.0345
Loa Loa (eye worm) hypothetical protein 0.0122 0.0345 0.0345
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0175 0.0175
Schistosoma mansoni serine/threonine protein kinase 0.0282 0.0882 0.0924
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0158 0.0467 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0021 0.0008 0.0008
Echinococcus multilocularis ecdysone induced protein 78C 0.0258 0.0803 0.0803
Brugia malayi Nuclear hormone receptor-like 1 0.0136 0.0394 0.0394
Onchocerca volvulus Serine\/threonine kinase homolog 0.0282 0.0882 1
Brugia malayi tailless protein 0.0122 0.0345 0.0345
Loa Loa (eye worm) nuclear receptor NHR-67 0.0122 0.0345 0.0345
Schistosoma mansoni RAR-like nuclear receptor 0.0258 0.0803 0.0841
Loa Loa (eye worm) hypothetical protein 0.0258 0.0803 0.0803
Loa Loa (eye worm) hypothetical protein 0.0068 0.0165 0.0165
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0054 0.0119 0.2553
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.2998 1 1
Schistosoma mansoni thyroid hormone receptor 0.0258 0.0803 0.0841
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0042 0.0042
Giardia lamblia Kinase, PLK 0.0282 0.0882 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0282 0.0882 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0258 0.0803 0.0841
Brugia malayi Nuclear hormone receptor-like 1 0.0258 0.0803 0.0803
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0258 0.0803 0.0803
Trypanosoma brucei polo-like protein kinase 0.0282 0.0882 1
Schistosoma mansoni nuclear receptor 0.0122 0.0345 0.0362
Loa Loa (eye worm) hypothetical protein 0.0052 0.0109 0.0109
Schistosoma mansoni zinc finger protein 0.0024 0.0016 0.0017
Loa Loa (eye worm) hypothetical protein 0.0122 0.0345 0.0345
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0158 0.0467 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0282 0.0882 1
Echinococcus granulosus peptidase Clp S14 family 0.0104 0.0284 0.0284
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0165 0.0165
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0006 0.0006
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0122 0.0345 0.0345
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.0271 0.0271
Loa Loa (eye worm) hypothetical protein 0.0122 0.0345 0.0345
Brugia malayi nuclear hormone receptor 0.0258 0.0803 0.0803
Schistosoma mansoni thyroid hormone receptor 0.0258 0.0803 0.0841
Echinococcus granulosus nuclear receptor nhr 48 0.0122 0.0345 0.0345
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0258 0.0803 0.0803
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0258 0.0803 0.0803
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0021 0.0008 0.0008
Schistosoma mansoni nuclear hormone receptor 0.0122 0.0345 0.0362
Loa Loa (eye worm) hypothetical protein 0.0136 0.0394 0.0394
Echinococcus multilocularis GPCR, family 2 0.0032 0.0042 0.0042
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0158 0.0467 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0258 0.0803 0.0803
Loa Loa (eye worm) hypothetical protein 0.0122 0.0345 0.0345
Loa Loa (eye worm) hypothetical protein 0.0122 0.0345 0.0345
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0158 0.0467 1
Brugia malayi Bromodomain containing protein 0.0046 0.0092 0.0092
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0136 0.0394 0.0394
Echinococcus granulosus Nuclear hormone receptor HR96 0.0122 0.0345 0.0345
Schistosoma mansoni nuclear receptor nhr-48 0.0122 0.0345 0.0362
Schistosoma mansoni retinoic acid receptor RXR 0.0258 0.0803 0.0841
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0258 0.0803 0.0841
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0175 0.0183
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0158 0.0467 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0258 0.0803 0.0803
Schistosoma mansoni nuclear hormone receptor 0.0122 0.0345 0.0362
Echinococcus granulosus GPCR family 2 0.0032 0.0042 0.0042
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0258 0.0803 0.0803
Brugia malayi N-terminal motif family protein 0.0182 0.0549 0.0549
Brugia malayi steroid hormone receptor 0.0258 0.0803 0.0803
Echinococcus granulosus FTZ F1 alpha 0.0258 0.0803 0.0803
Loa Loa (eye worm) hypothetical protein 0.0122 0.0345 0.0345
Brugia malayi hypothetical protein 0.0136 0.0394 0.0394
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0006 0.0006
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0258 0.0803 0.0803
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.002 0.002
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.2861 0.9542 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0258 0.0803 0.0803
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0082 0.0082
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0282 0.0882 0.0882
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0258 0.0803 0.0803
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0042 0.0042
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0258 0.0803 0.0841
Loa Loa (eye worm) hypothetical protein 0.0021 0.0006 0.0006
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0158 0.0467 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0042 0.0042
Brugia malayi photoreceptor-specific nuclear receptor 0.0258 0.0803 0.0803
Loa Loa (eye worm) hypothetical protein 0.0258 0.0803 0.0803
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0258 0.0803 0.0803
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0258 0.0803 0.0803
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0158 0.0467 0.0467
Loa Loa (eye worm) hypothetical protein 0.0085 0.0223 0.0223
Loa Loa (eye worm) hypothetical protein 0.0122 0.0345 0.0345
Echinococcus multilocularis peptidase Clp (S14 family) 0.0104 0.0284 0.0284
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0258 0.0803 0.0803
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0175 0.0175
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0258 0.0803 0.0803
Brugia malayi nuclear receptor NHR-67 0.0122 0.0345 0.0345
Brugia malayi nuclear receptor RXR 0.0136 0.0394 0.0394
Brugia malayi nuclear receptor RXR 0.0122 0.0345 0.0345
Trichomonas vaginalis CAMK family protein kinase 0.0282 0.0882 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0182 0.0549 0.3795
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0136 0.0394 0.0413
Loa Loa (eye worm) DR-78 0.0122 0.0345 0.0345
Loa Loa (eye worm) hypothetical protein 0.0122 0.0345 0.0345
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0122 0.0345 0.0345
Schistosoma mansoni nuclear hormone receptor 0.0258 0.0803 0.0841
Loa Loa (eye worm) hypothetical protein 0.0258 0.0803 0.0803
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0258 0.0803 0.0803
Echinococcus multilocularis FTZ F1 alpha 0.0258 0.0803 0.0803
Brugia malayi ecdysteroid receptor 0.0258 0.0803 0.0803
Loa Loa (eye worm) hypothetical protein 0.0136 0.0394 0.0394
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0042 0.0042
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0258 0.0803 0.0803
Schistosoma mansoni hypothetical protein 0.0068 0.0165 0.0173
Echinococcus granulosus zinc finger protein 0.0024 0.0016 0.0016
Brugia malayi Probable ClpP-like protease 0.0158 0.0467 0.0467
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0136 0.0394 0.0394
Onchocerca volvulus Bile acid receptor homolog 0.0258 0.0803 0.8533
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0178 0.0178
Loa Loa (eye worm) hypothetical protein 0.0258 0.0803 0.0803
Schistosoma mansoni zinc finger protein 0.0122 0.0345 0.0362
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0282 0.0882 0.0882
Trichomonas vaginalis CAMK family protein kinase 0.0282 0.0882 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0282 0.0882 0.0882
Echinococcus granulosus ecdysone induced protein 78C 0.0258 0.0803 0.0803
Brugia malayi nuclear receptor NHR-88 0.0122 0.0345 0.0345
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.2998 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0122 0.0345 0.0345
Onchocerca volvulus 0.0258 0.0803 0.8533
Brugia malayi nuclear hormone receptor family member odr-7 0.0122 0.0345 0.0345
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0006 0.0006
Brugia malayi ecdysone receptor 0.0122 0.0345 0.0345
Brugia malayi nuclear hormone receptor 0.0122 0.0345 0.0345
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0258 0.0803 0.0803
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0258 0.0803 0.0841
Loa Loa (eye worm) hypothetical protein 0.0182 0.0549 0.0549
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0158 0.0467 1
Brugia malayi Nuclear hormone receptor E75 0.0122 0.0345 0.0345
Echinococcus granulosus Nuclear hormone receptor HR96 0.0122 0.0345 0.0345
Trichomonas vaginalis CAMK family protein kinase 0.0282 0.0882 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0122 0.0345 0.0345
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0122 0.0345 0.0362
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0258 0.0803 0.0803
Loa Loa (eye worm) hypothetical protein 0.01 0.0271 0.0271
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0258 0.0803 0.0803
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0175 0.0175
Schistosoma mansoni hypothetical protein 0.0032 0.0042 0.0044
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0258 0.0803 0.0803
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0183 0.0191
Loa Loa (eye worm) hypothetical protein 0.0122 0.0345 0.0345
Trichomonas vaginalis CAMK family protein kinase 0.0282 0.0882 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0258 0.0803 0.0803
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0006 0.0006
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0042 0.0042
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0258 0.0803 0.8533
Brugia malayi Bromodomain containing protein 0.0091 0.024 0.024
Trichomonas vaginalis CAMK family protein kinase 0.0282 0.0882 1
Loa Loa (eye worm) nuclear hormone receptor 0.0122 0.0345 0.0345
Entamoeba histolytica serine/threonine protein kinase, putative 0.0282 0.0882 0.5
Loa Loa (eye worm) hypothetical protein 0.0258 0.0803 0.0803
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.0183 0.0183
Onchocerca volvulus Protein ultraspiracle homolog 0.0258 0.0803 0.8533
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0158 0.0467 0.5
Echinococcus multilocularis zinc finger protein 0.0024 0.0016 0.0016
Brugia malayi orphan nuclear receptor NR2E1 0.0122 0.0345 0.0345
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0178 0.0178
Brugia malayi follicle stimulating hormone receptor 0.028 0.0875 0.0875
Schistosoma mansoni hypothetical protein 0.0032 0.0042 0.0044
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0122 0.0345 0.0345
Trypanosoma cruzi polo-like protein kinase, putative 0.0282 0.0882 1
Brugia malayi Steroid receptor seven-up type 2 0.0258 0.0803 0.0803
Schistosoma mansoni bromodomain containing protein 0.0076 0.0193 0.0202
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0183 0.0191
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0122 0.0345 0.0345
Brugia malayi hypothetical protein 0.0122 0.0345 0.0345
Schistosoma mansoni nuclear receptor 0.0122 0.0345 0.0362
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0258 0.0803 0.0803
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0158 0.0467 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0158 0.0467 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0082 0.0082
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0008 0.0008
Trypanosoma cruzi polo-like protein kinase, putative 0.0282 0.0882 1
Brugia malayi jmjC domain containing protein 0.0073 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.0258 0.0803 0.0803
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0104 0.0284 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0122 0.0345 0.0345
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0258 0.0803 0.0803
Brugia malayi Nuclear hormone receptor E75 0.0122 0.0345 0.0345
Schistosoma mansoni peptidase Clp (S14 family) 0.0158 0.0467 0.049
Brugia malayi Nuclear hormone receptor-like 1 0.0136 0.0394 0.0394
Schistosoma mansoni hypothetical protein 0.0032 0.0042 0.0044
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0258 0.0803 0.0803
Brugia malayi serine/threonine-protein kinase plk-2 0.0282 0.0882 0.0882
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0028 0.0029
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0136 0.0394 0.0413
Loa Loa (eye worm) hypothetical protein 0.0136 0.0394 0.0394
Brugia malayi jmjC domain containing protein 0.0071 0.0175 0.0175
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.2998 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0006 0.0006
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0006 0.0006
Schistosoma mansoni kinase 0.0143 0.0417 0.0437
Loa Loa (eye worm) hypothetical protein 0.0122 0.0345 0.0345
Loa Loa (eye worm) hypothetical protein 0.0122 0.0345 0.0345
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0136 0.0394 0.0394
Brugia malayi PHD-finger family protein 0.003 0.0037 0.0037
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.0271 0.0271
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0158 0.0467 0.0467
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0258 0.0803 0.0841
Echinococcus granulosus thyroid hormone receptor alpha 0.0122 0.0345 0.0345
Loa Loa (eye worm) steroid hormone receptor 0.0258 0.0803 0.0803
Brugia malayi hypothetical protein 0.0136 0.0394 0.0394
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.0271 0.0271
Schistosoma mansoni steroid hormone receptor ad4bp 0.0258 0.0803 0.0841
Schistosoma mansoni hypothetical protein 0.0025 0.002 0.0021
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0104 0.0284 0.5
Loa Loa (eye worm) hypothetical protein 0.0158 0.0467 0.0467
Echinococcus multilocularis thyroid hormone receptor alpha 0.0258 0.0803 0.0803
Brugia malayi nuclear receptor NHR-88 0.0258 0.0803 0.0803
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0042 0.0042
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0258 0.0803 0.0803
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0258 0.0803 0.0803
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0258 0.0803 0.0803
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0054 0.0119 0.2553
Echinococcus multilocularis nuclear receptor nhr 48 0.0122 0.0345 0.0345
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0006 0.0006
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0122 0.0345 0.0345
Loa Loa (eye worm) hypothetical protein 0.0122 0.0345 0.0345
Loa Loa (eye worm) hypothetical protein 0.0122 0.0345 0.0345
Loa Loa (eye worm) hypothetical protein 0.0136 0.0394 0.0394
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0122 0.0345 0.0345
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0183 0.0183
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0028 0.0028
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0158 0.0467 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (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) 10.4179 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (binding) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference

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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