Detailed information for compound 1446358

Basic information

Technical information
  • TDR Targets ID: 1446358
  • Name: phenyl 4-(3-phenylphenyl)-4,9-diazaspiro[5.5] undecane-9-carboxylate
  • MW: 426.55 | Formula: C28H30N2O2
  • H donors: 0 H acceptors: 1 LogP: 6.22 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC2(CC1)CCCN(C2)c1cccc(c1)c1ccccc1)Oc1ccccc1
  • InChi: 1S/C28H30N2O2/c31-27(32-26-13-5-2-6-14-26)29-19-16-28(17-20-29)15-8-18-30(22-28)25-12-7-11-24(21-25)23-9-3-1-4-10-23/h1-7,9-14,21H,8,15-20,22H2
  • InChiKey: JCFFHEXIBWRWDE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(3-phenylphenyl)-4,9-diazaspiro[5.5]undecane-9-carboxylic acid phenyl ester
  • NCGC00010995
  • PCOP-331559

Targets

Known targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0033 0.0208 0.049
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0033 0.0208 0.0347
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0351 0.0356
Schistosoma mansoni growth factor receptor-bound protein 0.0024 0.0101 0.0103
Loa Loa (eye worm) hypothetical protein 0.0024 0.0101 0.0101
Brugia malayi Variant SH3 domain containing protein 0.0024 0.0101 0.0169
Brugia malayi Cytochrome P450 family protein 0.0022 0.008 0.0134
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0027 0.0142 0.0142
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0027 0.0142 0.0142
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0238 0.2682 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0027 0.0142 0.0142
Schistosoma mansoni hypothetical protein 0.0033 0.0208 0.0211
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0238 0.2682 1
Mycobacterium ulcerans hypothetical protein 0.0033 0.0208 0.049
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0033 0.0208 0.5
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0238 0.2682 0.2682
Echinococcus multilocularis fk506 binding protein 0.0238 0.2682 0.2682
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0027 0.0142 0.0142
Loa Loa (eye worm) TK/ABL protein kinase 0.0846 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0027 0.0142 0.0142
Schistosoma mansoni growth factor receptor-bound protein 0.0024 0.0101 0.0103
Schistosoma mansoni tyrosine kinase 0.0027 0.0142 0.0144
Echinococcus granulosus tyrosine protein kinase Fyn 0.0027 0.0142 0.0142
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0351 0.0578
Schistosoma mansoni tyrosine kinase 0.0027 0.0142 0.0144
Echinococcus granulosus NCK adaptor protein 0.0024 0.0101 0.0101
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0238 0.2682 0.2682
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0027 0.0142 0.0142
Echinococcus granulosus tyrosine protein kinase Src42A 0.0027 0.0142 0.0142
Loa Loa (eye worm) hypothetical protein 0.0205 0.2287 0.2287
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0238 0.2682 1
Schistosoma mansoni nck2/grb4 0.0024 0.0101 0.0103
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0238 0.2682 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.008 0.008
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0027 0.0142 0.0144
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0033 0.0208 0.5
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0033 0.0208 0.5
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0024 0.0101 0.0101
Brugia malayi Tyrosine-protein kinase abl-1 0.0345 0.3966 0.6621
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0033 0.0208 0.0347
Onchocerca volvulus 0.0033 0.0208 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0351 0.0578
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0351 0.1308
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0238 0.2682 1
Loa Loa (eye worm) CYP4Cod1 0.0022 0.008 0.008
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.0208 0.0775
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0027 0.0142 0.0142
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0238 0.2682 0.4478
Leishmania major peptidylprolyl isomerase-like protein 0.0238 0.2682 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0238 0.2682 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0238 0.2682 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.0208 0.049
Schistosoma mansoni tyrosine kinase 0.0834 0.9854 1
Schistosoma mansoni tyrosine kinase 0.0027 0.0142 0.0144
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0033 0.0208 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0351 0.0578
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0033 0.0208 0.5
Echinococcus multilocularis c src tyrosine kinase 0.0027 0.0142 0.0142
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0238 0.2682 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0205 0.2287 0.2287
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0238 0.2682 0.2682
Brugia malayi SRC-1 0.0027 0.0142 0.0238
Echinococcus granulosus tyrosine protein kinase Src64B 0.0027 0.0142 0.0142
Brugia malayi Sex muscle abnormal protein 5 0.0024 0.0101 0.0169
Loa Loa (eye worm) SRC-1 0.0027 0.0142 0.0142
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0351 0.1039
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0027 0.0142 0.0142
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.0208 0.049
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0351 0.1039
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0033 0.0208 0.049
Echinococcus multilocularis 0.0033 0.0208 0.0208
Trichomonas vaginalis fk506-binding protein, putative 0.0238 0.2682 1
Echinococcus granulosus c src tyrosine kinase 0.0027 0.0142 0.0142
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0205 0.2287 0.2287
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0238 0.2682 0.2682
Echinococcus multilocularis tyrosine protein kinase Abl 0.0345 0.3966 0.3966
Loa Loa (eye worm) FKBP5 protein 0.0238 0.2682 0.2682
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0238 0.2682 0.2722
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0027 0.0142 0.0142
Echinococcus granulosus growth factor receptor bound protein 2 0.0024 0.0101 0.0101
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0351 0.0351
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0238 0.2682 1
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0033 0.0208 0.0208
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0238 0.2682 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0027 0.0142 0.0142
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0351 0.0351
Brugia malayi Tyrosine-protein kinase abl-1 0.0513 0.5989 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0238 0.2682 0.4478
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0033 0.0208 0.0208
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0033 0.0208 0.5
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0033 0.0208 0.0208
Brugia malayi Cytochrome P450 family protein 0.0051 0.043 0.0718
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0033 0.0208 0.0208
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0033 0.0208 0.049
Echinococcus granulosus FK506 binding protein 2 0.0033 0.0208 0.0208
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.0208 0.049
Loa Loa (eye worm) cytochrome P450 family protein 0.0051 0.043 0.043
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0351 0.0351
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0351 0.0356
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.0208 0.049
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0033 0.0208 0.5
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0033 0.0208 0.049
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0238 0.2682 1
Schistosoma mansoni immunophilin 0.0205 0.2287 0.2321
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0024 0.0101 0.0103
Echinococcus granulosus tyrosine protein kinase Fyn 0.0027 0.0142 0.0142
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0033 0.0208 0.5
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0351 0.1039
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.0208 0.049
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0027 0.0142 0.0142
Echinococcus multilocularis NCK adaptor protein 0.0024 0.0101 0.0101
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0024 0.0101 0.0101
Schistosoma mansoni fk506 binding protein 0.0033 0.0208 0.0211
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0033 0.0208 0.049
Schistosoma mansoni tyrosine kinase 0.0027 0.0142 0.0144
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0027 0.0142 0.0142
Onchocerca volvulus 0.0033 0.0208 1
Trypanosoma brucei hypothetical protein, conserved 0.0033 0.0208 0.049
Schistosoma mansoni immunophilin 0.0238 0.2682 0.2722
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0033 0.0208 0.0775
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0238 0.2682 1
Echinococcus multilocularis growth factor receptor bound protein 2 0.0024 0.0101 0.0101
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0033 0.0208 0.049
Brugia malayi Cytochrome P450 family protein 0.0022 0.008 0.0134
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0351 0.0351
Schistosoma mansoni adapter molecule crk 0.0024 0.0101 0.0103
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.008 0.008
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0351 0.0351
Loa Loa (eye worm) hypothetical protein 0.0033 0.0208 0.0208
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0846 1 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0351 0.1039
Loa Loa (eye worm) hypothetical protein 0.0321 0.3678 0.3678
Schistosoma mansoni immunophilin 0.0238 0.2682 0.2722
Loa Loa (eye worm) hypothetical protein 0.0045 0.0351 0.0351
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0238 0.2682 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0033 0.0208 0.0347
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0351 0.0586
Leishmania major fk506-binding protein 1-like protein 0.0238 0.2682 1
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0033 0.0208 0.5
Brugia malayi Variant SH3 domain containing protein 0.0024 0.0101 0.0169
Trichomonas vaginalis immunophilin, putative 0.0238 0.2682 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0027 0.0142 0.0142
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0033 0.0208 0.0208
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0238 0.2682 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0027 0.0142 0.0142
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0351 0.0351
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0027 0.0142 0.0142
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0351 0.0578
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0238 0.2682 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0238 0.2682 1

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-cyp2c9 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) 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-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 15.84893192 uM 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
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 15.8489 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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) 89.1251 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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