Detailed information for compound 400218

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 924.167 | Formula: C52H77NO13
  • H donors: 3 H acceptors: 7 LogP: 6.78 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CO[C@@H]1C[C@@H](CC[C@H]1OC/C=C/c1ccc(cc1)O)/C=C(/[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]([C@H](C[C@H](C/C(=C/[C@H](C(=O)C[C@@H]([C@H]1C)O)CC)/C)C)OC)[C@H](C[C@H]2C)OC)\C
  • InChi: 1S/C52H77NO13/c1-10-38-25-31(2)24-32(3)26-45(62-8)48-46(63-9)28-34(5)52(60,66-48)49(57)50(58)53-22-12-11-15-40(53)51(59)65-47(35(6)41(55)30-42(38)56)33(4)27-37-18-21-43(44(29-37)61-7)64-23-13-14-36-16-19-39(54)20-17-36/h13-14,16-17,19-20,25,27,32,34-35,37-38,40-41,43-48,54-55,60H,10-12,15,18,21-24,26,28-30H2,1-9H3/b14-13+,31-25+,33-27+/t32-,34+,35+,37-,38+,40-,41-,43+,44+,45-,46-,47+,48+,52+/m0/s1
  • InChiKey: PSWLWRBSMIKBIF-FVWWNODYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens FK506 binding protein 1A, 12kDa Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma brucei gambiense peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Candida albicans one of two identical potential FKBP-type peptidyl-prolyl cis-trans isomerase genes Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma japonicum ko:K09568 FK506-binding protein 1, putative Get druggable targets OG5_126727 All targets in OG5_126727
Loa Loa (eye worm) FKBP5 protein Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma congolense peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania infantum fk506-binding protein 1-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania braziliensis fk506-binding protein 1-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative Get druggable targets OG5_126727 All targets in OG5_126727
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma congolense FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 Get druggable targets OG5_126727 All targets in OG5_126727
Echinococcus multilocularis fk506 binding protein Get druggable targets OG5_126727 All targets in OG5_126727
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma mansoni immunophilin Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma mansoni immunophilin Get druggable targets OG5_126727 All targets in OG5_126727
Candida albicans one of two identical potential FKBP-type peptidyl-prolyl cis-trans isomerase genes Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania mexicana fk506-binding protein 1-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 Get druggable targets OG5_126727 All targets in OG5_126727
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania major fk506-binding protein 1-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania infantum peptidylprolyl isomerase-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Candida albicans one of two identical potential FKBP-type peptidyl-prolyl cis-trans isomerase genes Get druggable targets OG5_126727 All targets in OG5_126727
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 Get druggable targets OG5_126727 All targets in OG5_126727
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 Get druggable targets OG5_126727 All targets in OG5_126727
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania braziliensis peptidylprolyl isomerase-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma japonicum FK506-binding protein 1A, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trichomonas vaginalis peptidylprolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Candida albicans one of two identical potential FKBP-type peptidyl-prolyl cis-trans isomerase genes Get druggable targets OG5_126727 All targets in OG5_126727
Neospora caninum Peptidylprolyl isomerase D (Cyclophilin D), related Get druggable targets OG5_126727 All targets in OG5_126727
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trichomonas vaginalis immunophilin, putative Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 Get druggable targets OG5_126727 All targets in OG5_126727
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 Get druggable targets OG5_126727 All targets in OG5_126727
Trichomonas vaginalis peptidylprolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Theileria parva peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Plasmodium knowlesi peptidyl-prolyl cis-trans isomerase FKBP35, putative Get druggable targets OG5_126727 All targets in OG5_126727
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma mansoni immunophilin Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania major peptidylprolyl isomerase-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania donovani fk506-binding protein 1-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania donovani peptidylprolyl isomerase-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Trichomonas vaginalis fk506-binding protein, putative Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma brucei gambiense peptidylprolyl isomerase-like protein, putative Get druggable targets OG5_126727 All targets in OG5_126727
Plasmodium berghei peptidyl-prolyl cis-trans isomerase FKBP35, putative Get druggable targets OG5_126727 All targets in OG5_126727
Leishmania mexicana peptidylprolyl isomerase-like protein Get druggable targets OG5_126727 All targets in OG5_126727
Schistosoma japonicum ko:K09571 FK506-binding protein 4/5, putative Get druggable targets OG5_126727 All targets in OG5_126727
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A Get druggable targets OG5_126727 All targets in OG5_126727
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative Get druggable targets OG5_126727 All targets in OG5_126727
Plasmodium yoelii FK506-binding protein Get druggable targets OG5_126727 All targets in OG5_126727
Candida albicans hypothetical protein Get druggable targets OG5_126727 All targets in OG5_126727
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative Get druggable targets OG5_126727 All targets in OG5_126727
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative FK506 binding protein 1A, 12kDa 108 aa 107 aa 48.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0286 1 1
Brugia malayi cathepsin L-like precursor 0.0192 0.572 0.572
Plasmodium vivax vivapain-1 0.0147 0.3723 0.3723
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Onchocerca volvulus 0.0286 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0286 1 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0147 0.3723 0.3723
Plasmodium vivax unspecified product 0.0147 0.3723 0.3723
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0286 1 1
Entamoeba histolytica cysteine protease, putative 0.0147 0.3723 0.3723
Trypanosoma cruzi cysteine peptidase, putative 0.0286 1 1
Leishmania major cathepsin L-like protease 0.0286 1 1
Plasmodium vivax vivapain-2 0.0286 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0147 0.3723 0.3723
Entamoeba histolytica cysteine protease, putative 0.0147 0.3723 0.3723
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0192 0.572 0.572
Loa Loa (eye worm) ctsf protein 0.0286 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0286 1 1
Onchocerca volvulus 0.0286 1 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.1334 0.1334
Entamoeba histolytica cysteine protease, putative 0.0147 0.3723 0.3723
Entamoeba histolytica cysteine protease, putative 0.0286 1 1
Brugia malayi Cathepsin L-like precursor 0.0286 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0286 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0095 0.1334 0.1334
Trypanosoma cruzi cruzipain precursor, putative 0.0286 1 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0065 0 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0286 1 1
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0065 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0192 0.572 0.572
Entamoeba histolytica cysteine protease, putative 0.0147 0.3723 0.3723
Entamoeba histolytica cysteine proteinase, putative 0.0286 1 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0286 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0286 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0147 0.3723 0.3723
Leishmania major cathepsin L-like protease 0.0286 1 1
Plasmodium vivax vivapain-3 0.0147 0.3723 0.3723
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0286 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0286 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0286 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0286 1 1
Onchocerca volvulus Cathepsin F homolog 0.0286 1 1
Loa Loa (eye worm) cysteine protease 0.0286 1 1
Loa Loa (eye worm) hypothetical protein 0.0192 0.572 0.572
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0147 0.3723 0.3723
Plasmodium falciparum cysteine proteinase falcipain 1 0.0147 0.3723 0.3723
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0286 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0286 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0286 1 1
Entamoeba histolytica cysteine protease, putative 0.0147 0.3723 0.3723
Echinococcus granulosus cathepsin l cysteine peptidase 0.0286 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0286 1 1
Leishmania major cathepsin L-like protease 0.0286 1 1
Entamoeba histolytica cysteine protease, putative 0.0147 0.3723 0.3723
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0286 1 1
Entamoeba histolytica cysteine protease, putative 0.0147 0.3723 0.3723
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0065 0 0.5
Entamoeba histolytica cysteine protease, putative 0.0147 0.3723 0.3723
Schistosoma mansoni cathepsin F (C01 family) 0.0192 0.572 0.572
Brugia malayi Cathepsin L-like precursor 0.0286 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0286 1 1
Leishmania major cathepsin L-like protease 0.0286 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0286 1 1
Echinococcus granulosus cathepsin l1 0.0286 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0286 1 1
Echinococcus multilocularis cathepsin L 0.0147 0.3723 0.3723
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0286 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0286 1 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0192 0.572 0.572
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0095 0.1334 0.1334
Echinococcus multilocularis cysteine protease 0.0286 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0147 0.3723 0.3723
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0286 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0286 1 1
Onchocerca volvulus Cathepsin L homolog 0.0286 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0286 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0286 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0286 1 1
Loa Loa (eye worm) fibroinase 0.0286 1 1
Loa Loa (eye worm) hypothetical protein 0.0192 0.572 0.572
Brugia malayi Cathepsin L-like precursor 0.0286 1 1
Trypanosoma cruzi cysteine proteinase, putative 0.0147 0.3723 0.3723
Echinococcus granulosus cathepsin L cysteine protease 0.0147 0.3723 0.3723
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0286 1 1
Plasmodium vivax unspecified product 0.0095 0.1334 0.1334
Brugia malayi Cathepsin L-like precursor 0.0095 0.1334 0.1334
Leishmania major cysteine peptidase A (CPA) 0.0286 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0286 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0286 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0147 0.3723 0.3723
Trypanosoma cruzi cruzipain precursor, putative 0.0095 0.1334 0.1334
Onchocerca volvulus 0.0286 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0147 0.3723 0.3723
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0286 1 1
Brugia malayi Cathepsin L-like precursor 0.0286 1 1
Echinococcus multilocularis cysteine protease 0.0286 1 1
Echinococcus granulosus cysteine protease 0.0147 0.3723 0.3723
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0286 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0286 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0286 1 1
Toxoplasma gondii cathepsin CPL 0.0286 1 0.5
Brugia malayi Cathepsin L-like precursor 0.0192 0.572 0.572
Onchocerca volvulus 0.0286 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0147 0.3723 0.3723
Leishmania major cathepsin L-like protease 0.0286 1 1
Entamoeba histolytica cysteine protease, putative 0.0147 0.3723 0.3723
Echinococcus granulosus cathepsin L 0.0147 0.3723 0.3723
Plasmodium vivax vivapain-2 0.0286 1 1
Brugia malayi Cathepsin L-like precursor 0.0192 0.572 0.572
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0286 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0286 1 1
Onchocerca volvulus 0.0286 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0286 1 1
Echinococcus granulosus cathepsin l1 0.0192 0.572 0.572
Leishmania major cathepsin L-like protease 0.0286 1 1
Entamoeba histolytica cysteine protease, putative 0.0147 0.3723 0.3723
Leishmania major cathepsin L-like protease 0.0286 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0147 0.3723 0.3723
Entamoeba histolytica cysteine proteinase, putative 0.0286 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0192 0.572 0.572
Entamoeba histolytica cysteine proteinase, putative 0.0147 0.3723 0.3723
Loa Loa (eye worm) hypothetical protein 0.0192 0.572 0.572
Onchocerca volvulus 0.0286 1 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0147 0.3723 0.3723
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0286 1 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.1334 0.1334
Leishmania major cathepsin L-like protease 0.0286 1 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0095 0.1334 0.1334
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0286 1 1
Entamoeba histolytica cysteine protease, putative 0.0147 0.3723 0.3723
Loa Loa (eye worm) hypothetical protein 0.0095 0.1334 0.1334
Brugia malayi Papain family cysteine protease containing protein 0.0286 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0286 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0286 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0286 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0286 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0147 0.3723 0.3723
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0286 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0286 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0147 0.3723 0.3723
Entamoeba histolytica cysteine protease, putative 0.0147 0.3723 0.3723
Brugia malayi cathepsin F-like cysteine proteinase 0.0095 0.1334 0.1334
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0065 0 0.5
Trypanosoma cruzi cysteine proteinase, putative 0.0147 0.3723 0.3723
Trypanosoma cruzi cysteine peptidase, putative 0.0147 0.3723 0.3723
Entamoeba histolytica cysteine proteinase 2 0.0147 0.3723 0.3723
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0286 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0286 1 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0286 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0147 0.3723 0.3723
Trypanosoma cruzi cysteine protease, putative 0.0147 0.3723 0.3723
Schistosoma mansoni cathepsin s 0.0095 0.1334 0.1334
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0147 0.3723 0.3723
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0192 0.572 0.572
Onchocerca volvulus 0.0286 1 1
Entamoeba histolytica cysteine protease, putative 0.0147 0.3723 0.3723
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0286 1 1
Brugia malayi Cathepsin L-like precursor 0.0286 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0286 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0286 1 1
Onchocerca volvulus Cathepsin L homolog 0.0286 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 20.5 nM Ability of the compound to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay ChEMBL. No reference
EC50 (binding) = 20.5 nM Ability of the compound to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay ChEMBL. No reference
ED50 (functional) = 1.1 MPK Immunosuppressive activity was determined by ex vivo murine-based model of immunosuppression, compound was administered intravenously in mouse. ChEMBL. 9873523
ED50 (functional) = 1.1 MPK Immunosuppressive activity was determined by ex vivo murine-based model of immunosuppression, compound was administered intravenously in mouse. ChEMBL. 9873523
ED50 (functional) = 37 MPK Immunosuppressive activity was determined by ex vivo murine-based model of immunosuppression, compound was administered perorally in mouse. ChEMBL. 9873523
ED50 (functional) = 37 MPK Immunosuppressive activity was determined by ex vivo murine-based model of immunosuppression, compound was administered perorally in mouse. ChEMBL. 9873523
ED50 (functional) = 100 MPK Neurotoxic activity was determined by measuring compound-induced hypothermia in BALB/c mice,after administering intravenously in mouse. ChEMBL. 9873523
ED50 (functional) = 100 MPK Neurotoxic activity was determined by measuring compound-induced hypothermia in BALB/c mice,after administering intravenously in mouse. ChEMBL. 9873523
IC50 (functional) = 0.8 nM Immunosuppressive activity was determined as the ability to inhibit T-cell 23 proliferation. ChEMBL. 9873523
IC50 (functional) = 0.8 nM In vitro evaluation for immunosuppressive activity against proliferation of antigen stimulated murine splenic T cells ChEMBL. No reference
Therapeutic index (ADMET) = 91 Therapeutic index was determined as mouse hypothermia ED50/murine ex vivo ED50 ChEMBL. 9873523

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

1 literature reference was collected for this gene.

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