Detailed information for compound 1293375

Basic information

Technical information
  • TDR Targets ID: 1293375
  • Name: [3-[di(phenyl)methyl]-3,9-diazaspiro[5.5]unde can-9-yl]-furan-2-ylmethanone
  • MW: 414.539 | Formula: C27H30N2O2
  • H donors: 0 H acceptors: 1 LogP: 5.1 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccco1)N1CCC2(CC1)CCN(CC2)C(c1ccccc1)c1ccccc1
  • InChi: 1S/C27H30N2O2/c30-26(24-12-7-21-31-24)29-19-15-27(16-20-29)13-17-28(18-14-27)25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-12,21,25H,13-20H2
  • InChiKey: NVMPUPGZFSXRQV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [3-[di(phenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-(2-furyl)methanone
  • [3-[di(phenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-furan-2-yl-methanone
  • NCGC00012371
  • PCOP-808194

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi cytochrome P450 0.0009 0.0141 0.019
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0563 0.0521
Schistosoma mansoni hypothetical protein 0.0068 0.2067 0.2067
Schistosoma mansoni hypothetical protein 0.0068 0.2067 0.2067
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0563 0.0521
Mycobacterium leprae putative cytochrome p450 0.0009 0.0141 0.5
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0362 0.032
Entamoeba histolytica hypothetical protein 0.0024 0.0634 0.4673
Brugia malayi kap beta 3 protein 0.0006 0.0044 0.0049
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0563 0.0811
Brugia malayi CXXC zinc finger family protein 0.0029 0.081 0.1173
Schistosoma mansoni Smad4 0.0008 0.0129 0.0129
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.3751 0.3744
Loa Loa (eye worm) hypothetical protein 0.0029 0.0814 0.0804
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0129 0.0118
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0068 0.2067 0.3017
Echinococcus granulosus Smad4 0.0008 0.0129 0.0086
Schistosoma mansoni smad 0.0008 0.0129 0.0129
Echinococcus multilocularis GPCR, family 2 0.0068 0.2067 0.2032
Schistosoma mansoni hypothetical protein 0.0068 0.2067 0.2067
Loa Loa (eye worm) hypothetical protein 0.0215 0.6825 0.6821
Brugia malayi isocitrate dehydrogenase 0.0015 0.0362 0.0516
Brugia malayi RNA, U transporter 1 0.0084 0.2564 0.3747
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0068 0.2067 0.2032
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0009 0.0141 0.0764
Schistosoma mansoni cpg binding protein 0.0029 0.081 0.081
Entamoeba histolytica hypothetical protein 0.0037 0.1049 0.7957
Loa Loa (eye worm) hypothetical protein 0.0011 0.0206 0.0196
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0068 0.2067 0.2032
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.1049 0.1009
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.1307 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0563 0.6744
Schistosoma mansoni hypothetical protein 0.0037 0.1049 0.1049
Trypanosoma brucei cytochrome P450, putative 0.0019 0.0482 0.3471
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0099 0.0056
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0362 0.1976
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0362 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0079 0.0275
Brugia malayi Latrophilin receptor protein 2 0.0068 0.2067 0.3017
Loa Loa (eye worm) importin-beta domain-containing protein 0.0006 0.0044 0.0033
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0362 0.1902
Brugia malayi Cytochrome P450 family protein 0.0019 0.0482 0.0692
Schistosoma mansoni importin beta-1 0.0029 0.0814 0.0814
Loa Loa (eye worm) cytochrome P450 family protein 0.0009 0.0141 0.013
Entamoeba histolytica hypothetical protein 0.0037 0.1049 0.7957
Schistosoma mansoni smad1 5 8 and 0.0008 0.0129 0.0129
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.1307 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0215 0.6825 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0079 0.0275
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0099 0.0056
Echinococcus granulosus cytochrome P450 2K1 0.0009 0.0141 0.0097
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0362 0.032
Brugia malayi latrophilin 2 splice variant baaae 0.0147 0.4622 0.6768
Entamoeba histolytica hypothetical protein 0.0037 0.1049 0.7957
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0482 0.0472
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.1307 0.1269
Schistosoma mansoni smad1 5 8 and 0.0008 0.0129 0.0129
Schistosoma mansoni hypothetical protein 0.0068 0.2067 0.2067
Schistosoma mansoni hypothetical protein 0.0009 0.0141 0.0141
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0079 0.0275
Leishmania major cytochrome p450-like protein 0.0009 0.0141 0.0764
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.1049 0.1049
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0129 0.0086
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0563 0.3623
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.081 0.08
Echinococcus multilocularis Smad4 0.0008 0.0129 0.0086
Echinococcus granulosus GPCR family 2 0.0068 0.2067 0.2032
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.1307 0.1269
Entamoeba histolytica hypothetical protein 0.0037 0.1049 0.7957
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0099 0.0099
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0079 0.0275
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.0482 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.187 0.187
Brugia malayi Importin beta-1 subunit 0.0029 0.0814 0.1178
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0079 0.0275
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.1307 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0215 0.6825 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0129 0.0086
Brugia malayi MH1 domain containing protein 0.0008 0.0129 0.0174
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0814 0.6095
Loa Loa (eye worm) hypothetical protein 0.0147 0.4622 0.4617
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.1307 0.1307
Schistosoma mansoni ran 0.0022 0.0563 0.0563
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0362 0.032
Echinococcus granulosus smad 0.0008 0.0129 0.0086
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0153 0.0209
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.1307 1
Plasmodium falciparum importin beta, putative 0.0029 0.0814 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.1307 1
Trichomonas vaginalis helicase, putative 0.0007 0.0079 0.0275
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0157 0.0113
Loa Loa (eye worm) Smad1 0.0008 0.0129 0.0118
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0482 0.293
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0814 0.0773
Onchocerca volvulus 0.0029 0.081 0.5
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0563 0.3623
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0362 0.1902
Echinococcus multilocularis smad 0.0008 0.0129 0.0086
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.1307 0.1269
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0079 0.0275
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0362 0.0516
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0079 0.0275
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0079 0.0275
Loa Loa (eye worm) hypothetical protein 0.0068 0.2067 0.2058
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0079 0.0275
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0362 0.2521
Echinococcus multilocularis cpg binding protein 0.0031 0.0864 0.0824
Brugia malayi Smad1 0.0008 0.0129 0.0174
Brugia malayi MH2 domain containing protein 0.012 0.3751 0.5489
Schistosoma mansoni cpg binding protein 0.0031 0.0864 0.0864
Brugia malayi Cytochrome P450 family protein 0.0009 0.0141 0.019
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0079 0.0275
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0068 0.2067 0.2032
Brugia malayi Cytochrome P450 family protein 0.0009 0.0141 0.019
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0482 0.0472
Brugia malayi Cytochrome P450 family protein 0.0019 0.0482 0.0692
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.1307 0.1307
Echinococcus multilocularis 0.0009 0.0141 0.0097
Loa Loa (eye worm) hypothetical protein 0.0045 0.1307 0.1298
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0563 0.6744
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0563 0.411
Schistosoma mansoni cpg binding protein 0.0031 0.0864 0.0864
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0362 0.4136
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.3751 0.3744
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0129 0.0129
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0079 0.0275
Schistosoma mansoni smad1 5 8 and 0.0008 0.0129 0.0129
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.1307 1
Plasmodium vivax importin-beta 2, putative 0.0029 0.0814 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0079 0.0275
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0157 0.0113
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0129 0.0086
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0099 0.0056
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.1307 0.1269
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0814 0.4776
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.1307 1
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0157 0.0146
Brugia malayi MH2 domain containing protein 0.0008 0.0129 0.0174
Loa Loa (eye worm) cytochrome P450 0.0009 0.0141 0.013
Brugia malayi MH2 domain containing protein 0.0008 0.0129 0.0174
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.1307 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0362 0.032
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0362 0.1976
Schistosoma mansoni cytochrome P450 0.0009 0.0141 0.0141
Echinococcus granulosus importin subunit beta 1 0.0029 0.0814 0.0773
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0482 0.293
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0563 0.0553
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0634 0.4673
Brugia malayi hypothetical protein 0.0037 0.1049 0.1524
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0634 0.4673
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0068 0.2067 0.2032
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0814 0.6095
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0634 0.4673
Leishmania major cytochrome p450-like protein 0.0019 0.0482 0.3471
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0362 0.0352
Echinococcus granulosus cpg binding protein 0.0031 0.0864 0.0824
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0009 0.0141 0.0764
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.1049 0.1009
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0099 0.0056
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0079 0.0275
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0129 0.0118
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0362 0.2521
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0362 0.4136
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.1307 0.1902
Leishmania major importin beta-1 subunit, putative 0.0024 0.0634 0.4673
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0215 0.6825 0.6821
Loa Loa (eye worm) latrophilin receptor protein 2 0.0068 0.2067 0.2058
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.1307 0.1269
Leishmania major GTP-binding protein, putative 0.0022 0.0563 0.411
Schistosoma mansoni ran 0.0022 0.0563 0.0563
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0362 0.032
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0362 0.032
Brugia malayi MH1 domain containing protein 0.0008 0.0129 0.0174
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0482 0.0472
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0362 0.2521
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.1307 1
Leishmania major cytochrome p450-like protein 0.0009 0.0141 0.0764
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0634 0.4232
Loa Loa (eye worm) kap beta 3 protein 0.0006 0.0044 0.0033
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0563 0.3221
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.1656 1
Schistosoma mansoni hypothetical protein 0.0147 0.4622 0.4622
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0079 0.0275
Schistosoma mansoni importin-beta 2 0.0006 0.0044 0.0044
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0079 0.0275
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0079 0.0275
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0079 0.0275
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0129 0.0086
Entamoeba histolytica Ran family GTPase 0.0022 0.0563 0.411
Mycobacterium leprae Conserved hypothetical protein 0.0009 0.0141 0.5
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.1307 0.1269
Trichomonas vaginalis ran, putative 0.0022 0.0563 0.411
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0362 0.0362
Toxoplasma gondii cytochrome p450 superfamily protein 0.0009 0.0141 0.0599

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 5.011872336 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 39.81071706 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (ADMET) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

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

No literature references available for this target.

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