Detailed information for compound 1562321

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 468.464 | Formula: C27H23F3O4
  • H donors: 0 H acceptors: 1 LogP: 6.76 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)c(c(c1)/C=C/c1ccc(cc1)OC)/C=C/C(=O)c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C27H23F3O4/c1-32-22-12-5-18(6-13-22)4-7-20-16-23(33-2)17-26(34-3)24(20)14-15-25(31)19-8-10-21(11-9-19)27(28,29)30/h4-17H,1-3H3/b7-4+,15-14+
  • InChiKey: ONUKZSHSQPSLGC-JMAUVIMASA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Onchocerca volvulus Protein ultraspiracle homolog 0.0047 0.0572 0.4325
Loa Loa (eye worm) hypothetical protein 0.0047 0.0572 0.0811
Brugia malayi Cathepsin L-like precursor 0.002 0.0032 0.0045
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0047 0.0572 0.0572
Brugia malayi Nuclear hormone receptor-like 1 0.0025 0.0135 0.0192
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0022 0.0083 0.0083
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0025 0.0135 0.0192
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0025 0.0144 0.0457
Loa Loa (eye worm) DR-78 0.0022 0.0083 0.0118
Loa Loa (eye worm) hypothetical protein 0.0025 0.0135 0.0192
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0047 0.0572 0.0572
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1115 1
Echinococcus multilocularis aryl hydrocarbon receptor 0.0029 0.022 0.022
Loa Loa (eye worm) hypothetical protein 0.0047 0.0572 0.0811
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0227 0.2032
Brugia malayi nuclear hormone receptor 0.0047 0.0572 0.0811
Loa Loa (eye worm) hypothetical protein 0.0022 0.0083 0.0118
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0025 0.0135 0.4349
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.1044 0.3296
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0022 0.0083 0.0083
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0047 0.0572 0.0811
Onchocerca volvulus 0.0057 0.0757 0.5802
Echinococcus multilocularis transfer RNA-Lys 0.0083 0.1281 0.1281
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0071 0.1044 0.1044
Onchocerca volvulus 0.0022 0.0083 0.041
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1115 1
Brugia malayi Cytochrome P450 family protein 0.0019 0.0011 0.0016
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0067 0.0803
Brugia malayi Nuclear hormone receptor E75 0.0022 0.0083 0.0118
Mycobacterium ulcerans L-lysine aminotransferase 0.0025 0.0144 0.0424
Entamoeba histolytica Ran family GTPase 0.0025 0.0135 0.2328
Brugia malayi ecdysteroid receptor 0.0047 0.0572 0.0811
Brugia malayi nuclear hormone receptor 0.0022 0.0083 0.0118
Echinococcus granulosus nuclear receptor nhr 48 0.0022 0.0083 0.0083
Echinococcus granulosus geminin 0.0193 0.344 0.344
Mycobacterium ulcerans putative regulatory protein 0.0083 0.1281 0.4052
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0025 0.0144 0.0204
Schistosoma mansoni ran 0.0025 0.0135 0.02
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1115 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0062 0.0871 0.1234
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0029 0.022 0.1977
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0025 0.0135 0.1292
Loa Loa (eye worm) hypothetical protein 0.0029 0.0215 0.0304
Brugia malayi Importin beta-1 subunit 0.0034 0.031 0.0439
Brugia malayi nuclear receptor NHR-88 0.0022 0.0083 0.0118
Schistosoma mansoni hypothetical protein 0.0057 0.0757 0.1124
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0047 0.0572 0.0811
Loa Loa (eye worm) hypothetical protein 0.0022 0.0083 0.0118
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0011 0.0016
Schistosoma mansoni retinoic acid receptor RXR 0.0047 0.0572 0.085
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0047 0.0572 0.0572
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0047 0.0572 0.0811
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0047 0.0572 0.0811
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0071 0.1044 0.1044
Leishmania major protein kinase, putative 0.0029 0.022 0.1977
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.0032 0.0032
Brugia malayi steroid hormone receptor 0.0047 0.0572 0.0811
Loa Loa (eye worm) hypothetical protein 0.0025 0.0135 0.0192
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0011 0.0098
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0047 0.0572 0.085
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.1044 0.1551
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.002 0.0032 0.0045
Brugia malayi Cathepsin L-like precursor 0.002 0.0032 0.0045
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0047 0.0572 0.0572
Echinococcus multilocularis lamin dm0 0.0062 0.0871 0.0871
Schistosoma mansoni hypothetical protein 0.0193 0.344 0.5109
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0047 0.0572 0.0811
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.022 0.0606
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0067 0.0604
Brugia malayi nuclear hormone receptor family member odr-7 0.0022 0.0083 0.0118
Schistosoma mansoni single-minded 0.0113 0.1856 0.2756
Brugia malayi Papain family cysteine protease containing protein 0.002 0.0032 0.0045
Echinococcus multilocularis ecdysone induced protein 78C 0.0047 0.0572 0.0572
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0067 0.0604
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0022 0.0083 0.0083
Loa Loa (eye worm) hypothetical protein 0.0034 0.031 0.0439
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0022 0.0083 0.0083
Brugia malayi photoreceptor-specific nuclear receptor 0.0047 0.0572 0.0811
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1115 1
Entamoeba histolytica hypothetical protein 0.0042 0.0475 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.002 0.0032 0.1025
Plasmodium falciparum cysteine proteinase falcipain 2a 0.002 0.0032 0.1025
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0029 0.022 0.0606
Schistosoma mansoni lamin 0.0062 0.0871 0.1293
Brugia malayi nuclear receptor RXR 0.0025 0.0135 0.0192
Schistosoma mansoni ran 0.0025 0.0135 0.02
Echinococcus granulosus cytoplasmic intermediate filament protein 0.003 0.0237 0.0237
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.1115 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0025 0.0135 0.4349
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.031 0.2782
Onchocerca volvulus 0.0047 0.0572 0.4325
Brugia malayi Cytochrome P450 family protein 0.0019 0.0011 0.0016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0047 0.0572 0.0811
Loa Loa (eye worm) hypothetical protein 0.0022 0.0083 0.0118
Brugia malayi Cathepsin L-like precursor 0.002 0.0032 0.0045
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0047 0.0572 0.0811
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0025 0.0135 0.0201
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0025 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.003 0.0237 0.0336
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0047 0.0572 0.0811
Leishmania major protein kinase, putative 0.0029 0.022 0.1977
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0227 0.2032
Echinococcus multilocularis cysteine protease 0.002 0.0032 0.0032
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0047 0.0572 0.0572
Brugia malayi hypoxia-induced factor 1 0.0348 0.6484 0.9187
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0025 0.0144 0.0424
Echinococcus granulosus GTP binding nuclear protein Ran 0.0025 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.003 0.0227 0.0321
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0047 0.0572 0.0811
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0047 0.0572 0.0811
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0047 0.0572 0.0572
Brugia malayi hypothetical protein 0.0042 0.0475 0.0672
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0067 0.0095
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0047 0.0572 0.0811
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0022 0.0083 0.0123
Loa Loa (eye worm) hypothetical protein 0.0022 0.0083 0.0118
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0135 0.121
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0475 0.0705
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0029 0.022 0.022
Leishmania major cathepsin L-like protease 0.002 0.0032 0.0285
Loa Loa (eye worm) hypothetical protein 0.0025 0.0135 0.0192
Schistosoma mansoni nuclear receptor 0.0022 0.0083 0.0123
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0227 0.2032
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0083 0.0083
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0025 0.0135 0.0135
Leishmania major cathepsin L-like protease 0.0075 0.1115 1
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0083 0.0123
Echinococcus granulosus neuropeptide receptor A26 0.0528 1 1
Onchocerca volvulus 0.0062 0.0871 0.6716
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0025 0.0144 0.0424
Trypanosoma cruzi major cysteine proteinase, putative 0.0059 0.0801 0.7181
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0047 0.0572 0.4325
Brugia malayi Nuclear hormone receptor-like 1 0.0047 0.0572 0.0811
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0022 0.0083 0.0118
Leishmania major GTP-binding protein, putative 0.0025 0.0135 0.121
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1115 1
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0029 0.022 0.1977
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0011 0.0016
Brugia malayi ecdysone receptor 0.0022 0.0083 0.0118
Brugia malayi Cathepsin L-like precursor 0.002 0.0032 0.0045
Echinococcus multilocularis lamin 0.0062 0.0871 0.0871
Loa Loa (eye worm) fibroinase 0.002 0.0032 0.0045
Schistosoma mansoni nuclear receptor nhr-48 0.0022 0.0083 0.0123
Mycobacterium ulcerans acetylornithine aminotransferase 0.0025 0.0144 0.0424
Loa Loa (eye worm) hypothetical protein 0.0047 0.0572 0.0811
Brugia malayi hypothetical protein 0.003 0.0227 0.0321
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1115 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1115 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.0032 0.0032
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0185 0.0491
Schistosoma mansoni lamin 0.0062 0.0871 0.1293
Loa Loa (eye worm) hypothetical protein 0.0047 0.0572 0.0811
Leishmania major cathepsin L-like protease 0.002 0.0032 0.0285
Leishmania major hypothetical protein, conserved 0.003 0.0227 0.2032
Loa Loa (eye worm) ctsf protein 0.002 0.0032 0.0045
Brugia malayi hypothetical protein 0.0019 0.0021 0.003
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0029 0.022 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0047 0.0572 0.0811
Plasmodium vivax importin-beta 2, putative 0.0034 0.031 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0022 0.0083 0.0083
Leishmania major importin beta-1 subunit, putative 0.0027 0.0185 0.1656
Loa Loa (eye worm) intermediate filament protein 0.0062 0.0871 0.1234
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0047 0.0572 0.0811
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0185 0.0491
Toxoplasma gondii aldehyde dehydrogenase 0.0071 0.1044 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0047 0.0572 0.085
Echinococcus multilocularis neuropeptide receptor A26 0.0528 1 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.002 0.0032 0.1025
Schistosoma mansoni hypothetical protein 0.0042 0.0475 0.0705
Toxoplasma gondii cathepsin CPL 0.002 0.0032 0.0304
Loa Loa (eye worm) hypothetical protein 0.0378 0.7058 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0067 0.0604
Echinococcus granulosus cathepsin L cysteine proteinase 0.002 0.0032 0.0032
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0025 0.0144 0.0457
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0067 0.0604
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0475 0.0475
Trypanosoma cruzi cruzipain precursor, putative 0.0075 0.1115 1
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0025 0.0144 1
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0025 0.0144 0.0457
Loa Loa (eye worm) steroid hormone receptor 0.0047 0.0572 0.0811
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1115 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0025 0.0135 0.0191
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0047 0.0572 0.0811
Plasmodium falciparum importin beta, putative 0.0034 0.031 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0022 0.0083 0.041
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0022 0.0083 0.0118
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0029 0.022 0.0606
Leishmania major cathepsin L-like protease 0.002 0.0032 0.0285
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0029 0.022 0.1977
Toxoplasma gondii HEAT repeat-containing protein 0.0034 0.031 0.297
Leishmania major cysteine peptidase A (CPA) 0.002 0.0032 0.0285
Echinococcus multilocularis importin subunit beta 1 0.0034 0.031 0.031
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0029 0.022 0.1977
Brugia malayi Cathepsin L-like precursor 0.002 0.0032 0.0045
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0227 0.7307
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0047 0.0572 0.0572
Loa Loa (eye worm) hypothetical protein 0.0277 0.5091 0.7213
Echinococcus multilocularis cysteine protease 0.002 0.0032 0.0032
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0029 0.022 0.0312
Brugia malayi Steroid receptor seven-up type 2 0.0047 0.0572 0.0811
Loa Loa (eye worm) hypothetical protein 0.0047 0.0572 0.0811
Schistosoma mansoni coup transcription factor 0.0047 0.0572 0.085
Echinococcus multilocularis nuclear receptor nhr 48 0.0022 0.0083 0.0083
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0047 0.0572 0.085
Loa Loa (eye worm) hypothetical protein 0.0047 0.0572 0.0811
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0047 0.0572 0.0572
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0029 0.022 0.1977
Echinococcus granulosus thyroid hormone receptor alpha 0.0022 0.0083 0.0083
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0047 0.0572 0.085
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0029 0.022 0.0606
Brugia malayi Cathepsin L-like precursor 0.002 0.0032 0.0045
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0227 0.7307
Loa Loa (eye worm) hypothetical protein 0.0022 0.0083 0.0118
Brugia malayi nuclear hormone receptor family member nhr-6 0.0022 0.0083 0.0118
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0067 0.0067
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0047 0.0572 0.0572
Schistosoma mansoni hypothetical protein 0.0193 0.344 0.5109
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0083 0.0083
Echinococcus multilocularis Aminotransferase class III 0.0025 0.0144 0.0144
Brugia malayi conserved hypotetical protein 0.0022 0.0083 0.0118
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0029 0.022 0.1977
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0135 0.121
Brugia malayi nuclear receptor NHR-88 0.0047 0.0572 0.0811
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0068 0.0988 0.8857
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0032 0.0047
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.022 0.0606
Loa Loa (eye worm) nuclear hormone receptor 0.0022 0.0083 0.0118
Loa Loa (eye worm) papain family cysteine protease containing protein 0.002 0.0032 0.0045
Trichomonas vaginalis adenylate cyclase, putative 0.0029 0.022 0.0606
Echinococcus multilocularis geminin 0.0193 0.344 0.344
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0083 0.0123
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0029 0.022 0.0606
Schistosoma mansoni thyroid hormone receptor 0.0047 0.0572 0.085
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0047 0.0572 0.0572
Leishmania major cytochrome p450-like protein 0.0019 0.0011 0.0098
Trypanosoma brucei cytochrome P450, putative 0.0019 0.0011 0.0098
Loa Loa (eye worm) hypothetical protein 0.0062 0.0871 0.1234
Mycobacterium tuberculosis Probable aminotransferase 0.0178 0.3146 1
Echinococcus granulosus Aminotransferase class III 0.0025 0.0144 0.0144
Brugia malayi nuclear receptor RXR 0.0022 0.0083 0.0118
Loa Loa (eye worm) hypothetical protein 0.0022 0.0083 0.0118
Brugia malayi RNA, U transporter 1 0.0096 0.1534 0.2174
Echinococcus granulosus importin subunit beta 1 0.0034 0.031 0.031
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0185 0.1656
Schistosoma mansoni ap endonuclease 0.0021 0.0067 0.01
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0033 0.0302 0.0428
Trichomonas vaginalis ran, putative 0.0025 0.0135 0.0331
Schistosoma mansoni intermediate filament proteins 0.0062 0.0871 0.1293
Toxoplasma gondii exonuclease III APE 0.0021 0.0067 0.0645
Brugia malayi hypothetical protein 0.0022 0.0083 0.0118
Brugia malayi tailless protein 0.0022 0.0083 0.0118
Echinococcus multilocularis ornithine aminotransferase 0.0025 0.0144 0.0144
Leishmania major cathepsin L-like protease 0.0075 0.1115 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0227 0.7307
Echinococcus granulosus aryl hydrocarbon receptor 0.0029 0.022 0.022
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.1044 0.3296
Entamoeba histolytica hypothetical protein 0.0042 0.0475 1
Brugia malayi Nuclear hormone receptor-like 1 0.0025 0.0135 0.0192
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.0032 0.0032
Brugia malayi nuclear receptor NHR-67 0.0022 0.0083 0.0118
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0067 0.0095
Entamoeba histolytica hypothetical protein 0.0027 0.0185 0.3451
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0025 0.0144 0.0214
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0022 0.0083 0.041
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0178 0.3146 1
Schistosoma mansoni survival motor neuron protein 0.0057 0.0757 0.1124
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0067 0.018
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.022 0.0606
Trypanosoma cruzi cysteine peptidase, putative 0.002 0.0032 0.0285
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0011 0.0016
Brugia malayi Intermediate filament tail domain containing protein 0.0062 0.0871 0.1234
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.1115 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0178 0.3146 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0025 0.0135 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0047 0.0572 0.0572
Brugia malayi cytoplasmic intermediate filament protein 0.0033 0.0302 0.0428
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0067 0.0067
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0047 0.0572 0.0572
Echinococcus multilocularis FTZ F1 alpha 0.0047 0.0572 0.0572
Echinococcus multilocularis survival motor neuron protein 1 0.0277 0.5091 0.5091
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.1044 0.1551
Leishmania major cathepsin L-like protease 0.002 0.0032 0.0285
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0025 0.0135 0.0201
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0029 0.022 0.1977
Echinococcus granulosus snurportin 1 0.0361 0.6734 0.6734
Brugia malayi hypothetical protein 0.0025 0.0135 0.0192
Brugia malayi intermediate filament protein 0.0062 0.0871 0.1234
Onchocerca volvulus 0.0022 0.0083 0.041
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0047 0.0572 0.0811
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0047 0.0572 0.0811
Loa Loa (eye worm) hypoxia-induced factor 1 0.0348 0.6484 0.9187
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0011 0.0098
Plasmodium vivax vivapain-2 0.002 0.0032 0.1025
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0067 0.2171
Leishmania major cathepsin L-like protease 0.0075 0.1115 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0071 0.1044 0.9365
Loa Loa (eye worm) hypothetical protein 0.0022 0.0083 0.0118
Loa Loa (eye worm) hypothetical protein 0.0025 0.0135 0.0192
Echinococcus granulosus ecdysone induced protein 78C 0.0047 0.0572 0.0572
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0178 0.3146 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0185 0.0491
Loa Loa (eye worm) hypothetical protein 0.0061 0.0849 0.1202
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0227 0.217
Loa Loa (eye worm) hypothetical protein 0.0022 0.0083 0.0118
Entamoeba histolytica hypothetical protein 0.0042 0.0475 1
Schistosoma mansoni hypothetical protein 0.0361 0.6734 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0113 0.1856 0.2756
Echinococcus granulosus Nuclear hormone receptor HR96 0.0022 0.0083 0.0083
Plasmodium vivax ornithine aminotransferase, putative 0.0025 0.0144 0.4638
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.031 0.2782
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0029 0.022 0.022
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0047 0.0572 0.085
Mycobacterium ulcerans hypothetical protein 0.0178 0.3146 1
Loa Loa (eye worm) cysteine protease 0.002 0.0032 0.0045
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0071 0.1044 0.3319
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1115 1
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0029 0.022 0.0606
Loa Loa (eye worm) nuclear receptor NHR-67 0.0022 0.0083 0.0118
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0047 0.0572 0.0811
Echinococcus multilocularis musashi 0.0062 0.0871 0.0871
Plasmodium vivax vivapain-2 0.002 0.0032 0.1025
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1115 1
Echinococcus granulosus FTZ F1 alpha 0.0047 0.0572 0.0572
Loa Loa (eye worm) hypothetical protein 0.0029 0.0215 0.0304
Loa Loa (eye worm) hypothetical protein 0.0047 0.0572 0.0811
Trichomonas vaginalis guanylate cyclase, putative 0.0029 0.022 0.0606
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0025 0.0135 0.121
Echinococcus granulosus ornithine aminotransferase 0.0025 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.0029 0.022 0.0312
Echinococcus multilocularis snurportin 1 0.0361 0.6734 0.6734
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0025 0.0135 0.0135
Schistosoma mansoni steroid hormone receptor ad4bp 0.0047 0.0572 0.085
Loa Loa (eye worm) hypothetical protein 0.002 0.0032 0.0045
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.0032 0.0032
Onchocerca volvulus 0.0029 0.022 0.151
Brugia malayi Nuclear hormone receptor E75 0.0022 0.0083 0.0118
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.1115 1
Onchocerca volvulus 0.0083 0.1281 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0067 0.0214
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0047 0.0572 0.0572
Brugia malayi PAS domain containing protein 0.0113 0.1856 0.2629
Loa Loa (eye worm) hypothetical protein 0.0022 0.0083 0.0118
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0025 0.0144 0.0424
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0025 0.0144 0.0457
Echinococcus granulosus lamin dm0 0.0062 0.0871 0.0871
Echinococcus granulosus intermediate filament protein 0.0062 0.0871 0.0871
Schistosoma mansoni nuclear hormone receptor 0.0047 0.0572 0.085
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0067 0.0114
Leishmania major cathepsin L-like protease 0.002 0.0032 0.0285
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0047 0.0572 0.0811
Echinococcus multilocularis neuropeptide s receptor 0.0528 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0067 0.0114
Loa Loa (eye worm) hypothetical protein 0.0022 0.0083 0.0118
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0047 0.0572 0.0811
Schistosoma mansoni importin beta-1 0.0034 0.031 0.0461
Schistosoma mansoni RAR-like nuclear receptor 0.0047 0.0572 0.085
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0025 0.0144 0.0424
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0022 0.0083 0.0123
Echinococcus granulosus cathepsin l cysteine peptidase 0.002 0.0032 0.0032
Brugia malayi hypothetical protein 0.0025 0.0135 0.0192
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0047 0.0572 0.085
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0475 0.0475
Schistosoma mansoni thyroid hormone receptor 0.0047 0.0572 0.085
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.003 0.0237 0.0237
Brugia malayi hypothetical protein 0.0277 0.5091 0.7213
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0047 0.0572 0.0572
Loa Loa (eye worm) hypothetical protein 0.0022 0.0083 0.0118
Loa Loa (eye worm) hypothetical protein 0.0047 0.0572 0.0811
Onchocerca volvulus Bile acid receptor homolog 0.0047 0.0572 0.4325
Echinococcus granulosus Nuclear hormone receptor HR96 0.0022 0.0083 0.0083
Echinococcus granulosus cathepsin l1 0.002 0.0032 0.0032
Onchocerca volvulus 0.0062 0.0871 0.6716
Echinococcus multilocularis ornithine aminotransferase 0.0025 0.0144 0.0144
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0361 0.6734 0.954
Loa Loa (eye worm) hypothetical protein 0.0022 0.0083 0.0118
Loa Loa (eye worm) hypothetical protein 0.0025 0.0135 0.0192
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0067 0.5
Schistosoma mansoni ap endonuclease 0.0021 0.0067 0.01
Schistosoma mansoni nuclear receptor 0.0022 0.0083 0.0123
Loa Loa (eye worm) hypothetical protein 0.0022 0.0083 0.0118
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.1115 1
Brugia malayi hypothetical protein 0.0022 0.0083 0.0118
Brugia malayi orphan nuclear receptor NR2E1 0.0022 0.0083 0.0118
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0067 0.2171
Brugia malayi bHLH-PAS transcription factor 0.0083 0.1281 0.1815
Trichomonas vaginalis guanylate cyclase, putative 0.0029 0.022 0.0606
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0047 0.0572 0.0811
Brugia malayi hypothetical protein 0.0378 0.7058 1
Mycobacterium leprae Possible regulatory protein 0.0029 0.022 0.0255
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0025 0.0135 0.0191
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0032 0.0047
Plasmodium falciparum ornithine aminotransferase 0.0025 0.0144 0.4638
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.1044 0.3296
Echinococcus granulosus lamin 0.0062 0.0871 0.0871
Echinococcus granulosus single minded 2 0.0083 0.1281 0.1281
Echinococcus granulosus survival motor neuron protein 1 0.0277 0.5091 0.5091
Schistosoma mansoni zinc finger protein 0.0022 0.0083 0.0123
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0025 0.0144 0.1378
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0178 0.3146 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0057 0.0757 0.1072
Entamoeba histolytica hypothetical protein 0.0042 0.0475 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 4.3 ug ml-1 Antiproliferative activity against mouse B16F10 cells after 48 hrs by MTT assay ChEMBL. 21440448
IC50 (functional) = 7.8 ug ml-1 Antiproliferative activity against human A549 cells after 48 hrs by MTT assay ChEMBL. 21440448
IC50 (functional) = 18.7 ug ml-1 Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay ChEMBL. 21440448

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 21440448
Homo sapiens ChEMBL23 21440448

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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