Detailed information for compound 70549

Basic information

Technical information
  • TDR Targets ID: 70549
  • Name: 2-hydroxy-3-[(2-hydroxy-3-oxo-5-propan-2-ylcy clohepta-1,4,6-trien-1-yl)-(4-methylphenyl)me thyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-o ne
  • MW: 430.535 | Formula: C28H30O4
  • H donors: 2 H acceptors: 4 LogP: 5.17 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C(c1ccc(cc(=O)c1O)C(C)C)c1ccc(cc(=O)c1O)C(C)C
  • InChi: 1S/C28H30O4/c1-16(2)20-10-12-22(27(31)24(29)14-20)26(19-8-6-18(5)7-9-19)23-13-11-21(17(3)4)15-25(30)28(23)32/h6-17,26H,1-5H3,(H,29,31)(H,30,32)
  • InChiKey: FXWXSLDIPGIHJO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-hydroxy-3-[(2-hydroxy-5-isopropyl-3-oxo-cyclohepta-1,4,6-trien-1-yl)-(p-tolyl)methyl]-6-isopropyl-cyclohepta-2,4,6-trien-1-one
  • 2-hydroxy-3-[(2-hydroxy-5-isopropyl-3-oxo-1-cyclohepta-1,4,6-trienyl)-(p-tolyl)methyl]-6-isopropyl-1-cyclohepta-2,4,6-trienone
  • 2-hydroxy-3-[(2-hydroxy-3-oxo-5-propan-2-yl-cyclohepta-1,4,6-trien-1-yl)-(4-methylphenyl)methyl]-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one
  • 2-hydroxy-3-[(2-hydroxy-5-isopropyl-3-keto-cyclohepta-1,4,6-trien-1-yl)-(p-tolyl)methyl]-6-isopropyl-cyclohepta-2,4,6-trien-1-one
  • 2-hydroxy-3-[(2-hydroxy-3-oxo-5-propan-2-yl-1-cyclohepta-1,4,6-trienyl)-(4-methylphenyl)methyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
  • 2-hydroxy-3-[(2-hydroxy-5-isopropyl-3-oxo-1-cyclohepta-1,4,6-trienyl)-(4-methylphenyl)methyl]-6-isopropyl-cyclohepta-2,4,6-trien-1-one
  • 2-hydroxy-3-[(2-hydroxy-5-isopropyl-3-oxo-1-cyclohepta-1,4,6-trienyl)-(4-methylphenyl)methyl]-6-isopropyl-1-cyclohepta-2,4,6-trienone
  • 2-hydroxy-3-[(2-hydroxy-5-isopropyl-3-keto-1-cyclohepta-1,4,6-trienyl)-(4-methylphenyl)methyl]-6-isopropyl-cyclohepta-2,4,6-trien-1-one
  • 2-hydroxy-3-[(2-hydroxy-3-oxo-5-propan-2-yl-1-cyclohepta-1,4,6-trienyl)-(4-methylphenyl)methyl]-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Echinococcus granulosus follistatin 0.0044 0.0013 0.0029
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0445 0.0717 0.0717
Loa Loa (eye worm) hypothetical protein 0.0044 0.0013 0.002
Brugia malayi nuclear receptor RXR 0.0235 0.0349 0.0937
Trichomonas vaginalis conserved hypothetical protein 0.088 0.1481 0.5
Brugia malayi Nuclear hormone receptor E75 0.021 0.0304 0.0817
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.185 0.3184 1
Brugia malayi Nuclear hormone receptor-like 1 0.0235 0.0349 0.0937
Schistosoma mansoni tyrosine kinase 0.0347 0.0545 0.0545
Echinococcus granulosus Nuclear hormone receptor HR96 0.021 0.0304 0.0936
Loa Loa (eye worm) hypothetical protein 0.021 0.0304 0.053
Schistosoma mansoni organic anion transporter 0.0064 0.0049 0.0049
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0445 0.0717 0.1252
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0445 0.0717 0.1252
Loa Loa (eye worm) DR-78 0.021 0.0304 0.053
Schistosoma mansoni tyrosine kinase 0.0118 0.0143 0.0143
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.021 0.0304 0.0945
Loa Loa (eye worm) nuclear hormone receptor 0.021 0.0304 0.053
Schistosoma mansoni retinoic acid receptor RXR 0.0445 0.0717 0.0717
Brugia malayi ecdysone receptor 0.021 0.0304 0.0817
Echinococcus granulosus tyrosine protein kinase ABL1 0.1868 0.3215 1
Schistosoma mansoni growth factor receptor-bound protein 0.0053 0.0029 0.0029
Onchocerca volvulus Tyrosine kinase homolog 0.0369 0.0583 0.1822
Brugia malayi Variant SH3 domain containing protein 0.0053 0.0029 0.0068
Mycobacterium tuberculosis Hypothetical protein 0.088 0.1481 0.3786
Loa Loa (eye worm) hypothetical protein 0.0235 0.0349 0.0607
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.021 0.0304 0.0945
Toxoplasma gondii transporter, major facilitator family protein 0.0064 0.0049 0.0113
Loa Loa (eye worm) hypothetical protein 0.0064 0.0049 0.0083
Brugia malayi sodium-independent organic anion transporter family protein 0.0064 0.0049 0.0123
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0065 0.005 0.0142
Loa Loa (eye worm) TK protein kinase 0.0039 0.0004 0.0004
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0065 0.005 0.0142
Brugia malayi ecdysteroid receptor 0.0445 0.0717 0.1938
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0394 0.0628 0.1096
Schistosoma mansoni agrin 0.0044 0.0013 0.0013
Schistosoma mansoni steroid hormone receptor ad4bp 0.0445 0.0717 0.0717
Loa Loa (eye worm) hypothetical protein 0.0711 0.1185 0.2072
Brugia malayi Immunoglobulin I-set domain containing protein 0.0394 0.0628 0.1696
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0445 0.0717 0.1938
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0445 0.0717 0.1252
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0044 0.0013 0.002
Loa Loa (eye worm) hypothetical protein 0.1676 0.2877 0.5037
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0044 0.0013 0.0026
Onchocerca volvulus Protein ultraspiracle homolog 0.0445 0.0717 0.2242
Brugia malayi Furin-like cysteine rich region family protein 0.0347 0.0545 0.1471
Loa Loa (eye worm) hypothetical protein 0.0445 0.0717 0.1252
Schistosoma mansoni tyrosine kinase 0.0179 0.0251 0.0251
Schistosoma mansoni tyrosine kinase 0.0179 0.0251 0.0251
Brugia malayi nuclear receptor NHR-88 0.0445 0.0717 0.1938
Echinococcus granulosus tyrosine protein kinase Fyn 0.0065 0.005 0.0142
Schistosoma mansoni nuclear receptor nhr-48 0.021 0.0304 0.0304
Echinococcus granulosus integrin alpha ps 0.0459 0.0741 0.2296
Loa Loa (eye worm) hypothetical protein 0.021 0.0304 0.053
Loa Loa (eye worm) hypothetical protein 0.0134 0.0171 0.0296
Loa Loa (eye worm) TK/FER protein kinase 0.0039 0.0004 0.0004
Echinococcus granulosus ephrin type A receptor 4 A 0.016 0.0217 0.0664
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0445 0.0717 0.222
Loa Loa (eye worm) steroid hormone receptor 0.0445 0.0717 0.1252
Brugia malayi Integrin beta pat-3 precursor 0.0349 0.0549 0.1483
Echinococcus multilocularis tyrosine protein kinase Abl 0.0764 0.1277 0.3966
Schistosoma mansoni nuclear receptor 0.021 0.0304 0.0304
Trypanosoma brucei lanosterol synthase 0.0435 0.07 0.0566
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0445 0.0717 0.0717
Loa Loa (eye worm) hypothetical protein 0.1614 0.277 0.4848
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0065 0.005 0.0142
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0065 0.005 0.0142
Echinococcus granulosus integrin alpha 3 0.1636 0.2808 0.8732
Schistosoma mansoni thyroid hormone receptor 0.0445 0.0717 0.0717
Brugia malayi hypothetical protein 0.0235 0.0349 0.0937
Brugia malayi thymidylate synthase 0.185 0.3184 0.8646
Brugia malayi steroid hormone receptor 0.0445 0.0717 0.1938
Brugia malayi nuclear receptor NHR-88 0.021 0.0304 0.0817
Echinococcus granulosus tyrosine protein kinase Fyn 0.0065 0.005 0.0142
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0235 0.0349 0.0607
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0445 0.0717 0.1938
Loa Loa (eye worm) hypothetical protein 0.021 0.0304 0.053
Onchocerca volvulus 0.0351 0.0552 0.1723
Loa Loa (eye worm) hypothetical protein 0.021 0.0304 0.053
Loa Loa (eye worm) hypothetical protein 0.021 0.0304 0.053
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0445 0.0717 0.2242
Loa Loa (eye worm) TK/FER protein kinase 0.0039 0.0004 0.0004
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.185 0.3184 1
Schistosoma mansoni integrin beta subunit 0.0206 0.0297 0.0297
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0445 0.0717 0.1252
Brugia malayi nuclear hormone receptor family member nhr-6 0.021 0.0304 0.0817
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0065 0.005 0.0142
Loa Loa (eye worm) TK/EPH protein kinase 0.0182 0.0256 0.0445
Schistosoma mansoni ephrin receptor 0.0145 0.0191 0.0191
Echinococcus granulosus thymidylate synthase 0.185 0.3184 0.9904
Loa Loa (eye worm) hypothetical protein 0.0044 0.0013 0.002
Loa Loa (eye worm) SRC-1 0.0065 0.005 0.0084
Echinococcus granulosus agrin 0.0044 0.0013 0.0029
Brugia malayi hypothetical protein 0.0064 0.0049 0.0123
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0235 0.0349 0.0349
Schistosoma mansoni nck2/grb4 0.0053 0.0029 0.0029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0445 0.0717 0.1252
Echinococcus multilocularis Nuclear hormone receptor HR96 0.021 0.0304 0.0936
Brugia malayi Nuclear hormone receptor-like 1 0.0445 0.0717 0.1938
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0445 0.0717 0.1252
Schistosoma mansoni serine/threonine protein kinase 0.0038 0.0003 0.0003
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0065 0.005 0.0142
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.021 0.0304 0.0936
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0064 0.0049 0.0141
Loa Loa (eye worm) hypothetical protein 0.021 0.0304 0.053
Onchocerca volvulus 0.0044 0.0013 0.003
Echinococcus granulosus c src tyrosine kinase 0.0065 0.005 0.0142
Schistosoma mansoni zinc finger protein 0.021 0.0304 0.0304
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0064 0.0049 0.0141
Brugia malayi hypothetical protein 0.021 0.0304 0.0817
Echinococcus multilocularis FTZ F1 alpha 0.0445 0.0717 0.222
Echinococcus multilocularis integrin alpha ps 0.0957 0.1615 0.5019
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.021 0.0304 0.0936
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0445 0.0717 0.1938
Brugia malayi nuclear receptor RXR 0.021 0.0304 0.0817
Echinococcus multilocularis tyrosine protein kinase ABL1 0.1868 0.3215 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.021 0.0304 0.053
Onchocerca volvulus Putative organic anion transporter 0.0064 0.0049 0.0142
Schistosoma mansoni hypothetical protein 0.0459 0.0741 0.0741
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0445 0.0717 0.222
Echinococcus multilocularis 0.0104 0.0119 0.0359
Schistosoma mansoni adapter molecule crk 0.0053 0.0029 0.0029
Loa Loa (eye worm) TK/INSR protein kinase 0.0118 0.0143 0.0247
Echinococcus multilocularis agrin 0.0044 0.0013 0.0029
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0044 0.0013 0.0026
Loa Loa (eye worm) integrin beta-2 0.0349 0.0549 0.0959
Loa Loa (eye worm) TK/FER protein kinase 0.0039 0.0004 0.0004
Schistosoma mansoni coup transcription factor 0.0445 0.0717 0.0717
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0445 0.0717 0.222
Echinococcus multilocularis thymidylate synthase 0.185 0.3184 0.9904
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.185 0.3184 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0039 0.0004 0.0004
Onchocerca volvulus Putative organic anion transporter 0.0064 0.0049 0.0142
Brugia malayi nuclear hormone receptor 0.0445 0.0717 0.1938
Loa Loa (eye worm) TK/FER protein kinase 0.0039 0.0004 0.0004
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0445 0.0717 0.222
Brugia malayi Sex muscle abnormal protein 5 0.0053 0.0029 0.0068
Loa Loa (eye worm) hypothetical protein 0.021 0.0304 0.053
Brugia malayi photoreceptor-specific nuclear receptor 0.0445 0.0717 0.1938
Schistosoma mansoni integrin alpha 0.2134 0.3682 0.3682
Trypanosoma cruzi lanosterol synthase, putative 0.0435 0.07 0.2075
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.021 0.0304 0.0304
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0445 0.0717 0.1938
Trypanosoma cruzi deoxyuridine triphosphatase, putative 0.035 0.0551 0.16
Schistosoma mansoni tyrosine kinase 0.1841 0.3168 0.3168
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0064 0.0049 0.0141
Loa Loa (eye worm) hypothetical protein 0.021 0.0304 0.053
Brugia malayi Integrin alpha pat-2 precursor 0.2134 0.3682 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0445 0.0717 0.1938
Echinococcus multilocularis ecdysone induced protein 78C 0.0445 0.0717 0.222
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0445 0.0717 0.222
Echinococcus multilocularis epidermal growth factor receptor 0.0191 0.0271 0.0833
Echinococcus granulosus epidermal growth factor receptor 0.0347 0.0545 0.1685
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0123 0.0151 0.046
Loa Loa (eye worm) hypothetical protein 0.0235 0.0349 0.0607
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0191 0.0271 0.0833
Schistosoma mansoni tyrosine kinase 0.0191 0.0271 0.0271
Echinococcus granulosus nuclear receptor nhr 48 0.021 0.0304 0.0936
Schistosoma mansoni nuclear receptor 0.021 0.0304 0.0304
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0235 0.0349 0.0349
Echinococcus multilocularis integrin alpha 3 0.1636 0.2808 0.8732
Loa Loa (eye worm) thymidylate synthase 0.185 0.3184 0.5575
Echinococcus granulosus thyroid hormone receptor alpha 0.021 0.0304 0.0936
Loa Loa (eye worm) hypothetical protein 0.0445 0.0717 0.1252
Echinococcus granulosus insulin receptor 0.0118 0.0143 0.0432
Schistosoma mansoni organic anion transporter 0.0064 0.0049 0.0049
Echinococcus multilocularis thyroid hormone receptor alpha 0.0445 0.0717 0.222
Loa Loa (eye worm) nuclear receptor NHR-67 0.021 0.0304 0.053
Loa Loa (eye worm) hypothetical protein 0.0459 0.0741 0.1295
Loa Loa (eye worm) hypothetical protein 0.0064 0.0049 0.0083
Schistosoma mansoni tyrosine kinase 0.0065 0.005 0.005
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0053 0.0029 0.0029
Brugia malayi Nuclear hormone receptor-like 1 0.0235 0.0349 0.0937
Brugia malayi nuclear hormone receptor 0.021 0.0304 0.0817
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.185 0.3184 0.5
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0044 0.0013 0.0026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0445 0.0717 0.1252
Mycobacterium tuberculosis Probable thymidylate synthase ThyX (ts) (TSase) 0.1755 0.3017 0.9388
Loa Loa (eye worm) TK/FER protein kinase 0.0039 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0445 0.0717 0.1252
Echinococcus multilocularis integrin alpha ps 0.0957 0.1615 0.5019
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.021 0.0304 0.0936
Loa Loa (eye worm) hypothetical protein 0.0445 0.0717 0.1252
Brugia malayi orphan nuclear receptor NR2E1 0.021 0.0304 0.0817
Brugia malayi SPARC precursor 0.0044 0.0013 0.0026
Onchocerca volvulus 0.0064 0.0049 0.0142
Echinococcus multilocularis ephrin type A receptor 4 A 0.016 0.0217 0.0664
Schistosoma mansoni growth factor receptor-bound protein 0.0053 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0235 0.0349 0.0607
Loa Loa (eye worm) hypothetical protein 0.0445 0.0717 0.1252
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0065 0.005 0.0142
Loa Loa (eye worm) hypothetical protein 0.0445 0.0717 0.1252
Onchocerca volvulus 0.185 0.3184 1
Brugia malayi Integrin alpha cytoplasmic region family protein 0.1614 0.277 0.7519
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0445 0.0717 0.222
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0445 0.0717 0.222
Onchocerca volvulus 0.0064 0.0049 0.0142
Loa Loa (eye worm) hypothetical protein 0.021 0.0304 0.053
Loa Loa (eye worm) hypothetical protein 0.0064 0.0049 0.0083
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0445 0.0717 0.222
Loa Loa (eye worm) TK/EGFR protein kinase 0.0347 0.0545 0.0951
Onchocerca volvulus 0.0134 0.0171 0.0524
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0445 0.0717 0.0717
Brugia malayi tailless protein 0.021 0.0304 0.0817
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0445 0.0717 0.1938
Loa Loa (eye worm) hypothetical protein 0.021 0.0304 0.053
Loa Loa (eye worm) hypothetical protein 0.0064 0.0049 0.0083
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0445 0.0717 0.1938
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0065 0.005 0.0142
Schistosoma mansoni integrin alpha-ps 0.0498 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0064 0.0049 0.0083
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0445 0.0717 0.1938
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0235 0.0349 0.1074
Echinococcus granulosus nuclear receptor 2DBD gamma 0.021 0.0304 0.0936
Brugia malayi Tyrosine-protein kinase abl-1 0.0764 0.1277 0.3462
Leishmania major lanosterol synthase, putative 0.0435 0.07 0.0566
Echinococcus granulosus NCK adaptor protein 0.0053 0.0029 0.0078
Loa Loa (eye worm) hypothetical protein 0.0235 0.0349 0.0607
Schistosoma mansoni tyrosine kinase 0.0065 0.005 0.005
Loa Loa (eye worm) TK/FER protein kinase 0.0039 0.0004 0.0004
Echinococcus granulosus epidermal growth factor receptor 0.0191 0.0271 0.0833
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0065 0.005 0.0142
Loa Loa (eye worm) TK/ABL protein kinase 0.1868 0.3215 0.5628
Schistosoma mansoni nuclear hormone receptor 0.021 0.0304 0.0304
Schistosoma mansoni tyrosine kinase 0.0039 0.0004 0.0004
Schistosoma mansoni tyrosine kinase 0.0065 0.005 0.005
Schistosoma mansoni tyrosine kinase 0.0065 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0064 0.0049 0.0083
Brugia malayi hypothetical protein 0.0064 0.0049 0.0123
Echinococcus granulosus tyrosine protein kinase Src42A 0.0065 0.005 0.0142
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.185 0.3184 1
Onchocerca volvulus 0.0445 0.0717 0.2242
Schistosoma mansoni tyrosine kinase 0.0191 0.0271 0.0271
Brugia malayi Tyrosine-protein kinase abl-1 0.113 0.1919 0.5208
Brugia malayi secreted modular calcium-binding protein 1 0.0044 0.0013 0.0026
Schistosoma mansoni thyroid hormone receptor 0.0445 0.0717 0.0717
Loa Loa (eye worm) hypothetical protein 0.0445 0.0717 0.1252
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.021 0.0304 0.0817
Brugia malayi sodium-independent organic anion transporter family protein 0.0064 0.0049 0.0123
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0445 0.0717 0.0717
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0053 0.0029 0.0047
Brugia malayi SRC-1 0.0065 0.005 0.0124
Onchocerca volvulus 0.0064 0.0049 0.0142
Loa Loa (eye worm) hypothetical protein 0.021 0.0304 0.053
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0044 0.0013 0.0026
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0445 0.0717 0.222
Echinococcus granulosus tyrosine protein kinase Fyn 0.0065 0.005 0.0142
Schistosoma mansoni integrin alpha-ps 0.0957 0.1615 0.1615
Leishmania major dihydrofolate reductase-thymidylate synthase 0.185 0.3184 1
Schistosoma mansoni RAR-like nuclear receptor 0.0445 0.0717 0.0717
Echinococcus multilocularis integrin alpha ps 0.0459 0.0741 0.2296
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0445 0.0717 0.1938
Loa Loa (eye worm) hypothetical protein 0.0445 0.0717 0.1252
Echinococcus granulosus integrin alpha ps 0.0957 0.1615 0.5019
Loa Loa (eye worm) hypothetical protein 0.0053 0.0029 0.0048
Echinococcus multilocularis follistatin 0.0044 0.0013 0.0029
Onchocerca volvulus 0.0064 0.0049 0.0142
Echinococcus granulosus tyrosine protein kinase Src64B 0.0065 0.005 0.0142
Brugia malayi Nuclear hormone receptor E75 0.021 0.0304 0.0817
Echinococcus granulosus Solute carrier organic anion transporter family 0.0064 0.0049 0.0141
Loa Loa (eye worm) TK/FER protein kinase 0.0039 0.0004 0.0004
Echinococcus multilocularis epidermal growth factor receptor 0.0347 0.0545 0.1685
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0445 0.0717 0.222
Brugia malayi hypothetical protein 0.021 0.0304 0.0817
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.185 0.3184 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0445 0.0717 0.0717
Brugia malayi sodium-independent organic anion transporter family protein 0.0064 0.0049 0.0123
Echinococcus granulosus ecdysone induced protein 78C 0.0445 0.0717 0.222
Echinococcus granulosus integrin beta 2 0.0259 0.039 0.1204
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0445 0.0717 0.0717
Loa Loa (eye worm) hypothetical protein 0.021 0.0304 0.053
Brugia malayi hypothetical protein 0.088 0.1481 0.4017
Echinococcus multilocularis growth factor receptor bound protein 2 0.0053 0.0029 0.0078
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0445 0.0717 0.222
Brugia malayi hypothetical protein 0.0053 0.0029 0.0069
Brugia malayi ephrin receptor 1 precursor 0.0075 0.0067 0.0173
Loa Loa (eye worm) hypothetical protein 0.0044 0.0013 0.002
Echinococcus multilocularis nuclear receptor nhr 48 0.021 0.0304 0.0936
Echinococcus multilocularis NCK adaptor protein 0.0053 0.0029 0.0078
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0065 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0068 0.0055 0.0094
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0053 0.0029 0.0048
Loa Loa (eye worm) TK/FER protein kinase 0.0039 0.0004 0.0004
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0065 0.005 0.0142
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0123 0.0151 0.046
Trypanosoma cruzi lanosterol synthase, putative 0.0435 0.07 0.2075
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0445 0.0717 0.1938
Mycobacterium ulcerans thymidylate synthase 0.185 0.3184 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0445 0.0717 0.222
Schistosoma mansoni tyrosine kinase 0.0039 0.0004 0.0004
Schistosoma mansoni nuclear hormone receptor 0.021 0.0304 0.0304
Brugia malayi Protein kinase domain containing protein 0.0118 0.0143 0.0377
Brugia malayi nuclear receptor NHR-67 0.021 0.0304 0.0817
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0445 0.0717 0.1938
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.088 0.1481 0.4569
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0064 0.0049 0.0083
Brugia malayi prostaglandin transporter 0.0064 0.0049 0.0123
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.185 0.3184 0.3184
Loa Loa (eye worm) agrin synaptic family protein 0.0044 0.0013 0.002
Loa Loa (eye worm) TK/FER protein kinase 0.0039 0.0004 0.0004
Onchocerca volvulus 0.021 0.0304 0.0945
Schistosoma mansoni follistatin 0.0044 0.0013 0.0013
Trypanosoma cruzi deoxyuridine triphosphatase, putative 0.035 0.0551 0.16
Onchocerca volvulus 0.021 0.0304 0.0945
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0065 0.005 0.0142
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0235 0.0349 0.1074
Brugia malayi Kelch motif family protein 0.0053 0.0029 0.0069
Onchocerca volvulus Putative organic anion transporter 0.0064 0.0049 0.0142
Loa Loa (eye worm) integrin alpha pat-2 0.329 0.5711 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0029 0.0047
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0065 0.005 0.0142
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0445 0.0717 0.1938
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0065 0.005 0.0142
Echinococcus granulosus FTZ F1 alpha 0.0445 0.0717 0.222
Loa Loa (eye worm) hypothetical protein 0.0039 0.0004 0.0004
Echinococcus granulosus growth factor receptor bound protein 2 0.0053 0.0029 0.0078
Schistosoma mansoni tyrosine kinase 0.0118 0.0143 0.0143
Echinococcus granulosus roundabout 2 0.0042 0.0011 0.0021
Echinococcus multilocularis integrin beta 2 0.0259 0.039 0.1204
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0053 0.0029 0.0047
Loa Loa (eye worm) hypothetical protein 0.0235 0.0349 0.0607
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0445 0.0717 0.1938
Onchocerca volvulus 0.0064 0.0049 0.0142
Schistosoma mansoni nuclear hormone receptor 0.0445 0.0717 0.0717
Echinococcus granulosus Nuclear hormone receptor HR96 0.021 0.0304 0.0936
Echinococcus multilocularis c src tyrosine kinase 0.0065 0.005 0.0142
Loa Loa (eye worm) hypothetical protein 0.021 0.0304 0.053
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.021 0.0304 0.0936
Echinococcus granulosus tyrosine protein kinase Lyn 0.0065 0.005 0.0142
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.185 0.3184 1
Echinococcus multilocularis expressed protein 0.0044 0.0013 0.0029
Brugia malayi Steroid receptor seven-up type 2 0.0445 0.0717 0.1938
Loa Loa (eye worm) hypothetical protein 0.0044 0.0013 0.002
Echinococcus multilocularis insulin receptor 0.0118 0.0143 0.0432
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0039 0.0004 0.5
Schistosoma mansoni tyrosine kinase 0.0179 0.0251 0.0251
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0445 0.0717 0.222
Brugia malayi conserved hypotetical protein 0.021 0.0304 0.0817
Echinococcus multilocularis roundabout 2 0.0042 0.0011 0.0021
Loa Loa (eye worm) hypothetical protein 0.1177 0.2003 0.3505
Loa Loa (eye worm) hypothetical protein 0.0064 0.0049 0.0083
Brugia malayi hypothetical protein 0.0235 0.0349 0.0937
Loa Loa (eye worm) hypothetical protein 0.0498 0.081 0.1417
Echinococcus multilocularis Nuclear hormone receptor HR96 0.021 0.0304 0.0936
Brugia malayi nuclear hormone receptor family member odr-7 0.021 0.0304 0.0817
Onchocerca volvulus Bile acid receptor homolog 0.0445 0.0717 0.2242
Brugia malayi Variant SH3 domain containing protein 0.0053 0.0029 0.0068

Activities

Activity type Activity value Assay description Source Reference
ID50 (functional) = 3.4 nM ml-1 In vitro inhibitory activity against growth of KB cells derived from human epidermoid carcinoma of the mouth ChEMBL. 6502608
ID50 (functional) = 3.4 nM ml-1 In vitro inhibitory activity against growth of KB cells derived from human epidermoid carcinoma of the mouth ChEMBL. 6502608
ID50 (functional) = 1.5 ug ml-1 In vitro inhibitory activity against growth of KB cells derived from human epidermoid carcinoma of the mouth ChEMBL. 6502608
ID50 (functional) = 1.5 ug ml-1 In vitro inhibitory activity against growth of KB cells derived from human epidermoid carcinoma of the mouth ChEMBL. 6502608
T/C (functional) = 125 % In vivo antitumor activity of the compound was measured in mice (P388 leukemia) at dose 2.5 mg/kg after intraperitoneal administration ChEMBL. 6502608
T/C (functional) = 125 % In vivo antitumor activity of the compound was measured in mice (P388 leukemia) at dose 2.5 mg/kg after intraperitoneal administration ChEMBL. 6502608
T/C (functional) = 147 % In vivo antitumor activity of the compound was measured in mice (P388 leukemia) at dose 5 mg/kg after intraperitoneal administration ChEMBL. 6502608
T/C (functional) = 147 % In vivo antitumor activity of the compound was measured in mice (P388 leukemia) at dose 5 mg/kg after intraperitoneal administration ChEMBL. 6502608
T/C (functional) = 163 % In vivo antitumor activity of the compound was measured in mice (P388 leukemia) at dose 10 mg/kg after intraperitoneal administration ChEMBL. 6502608
T/C (functional) = 163 % In vivo antitumor activity of the compound was measured in mice (P388 leukemia) at dose 10 mg/kg after intraperitoneal administration ChEMBL. 6502608

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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