Detailed information for compound 174025

Basic information

Technical information
  • TDR Targets ID: 174025
  • Name: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-10-( 4-hydroxy-3,3-dimethyl-4-oxobutanoyl)oxy-2,2, 6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a ,10,11,12,13,14,14a,14b-hexadecahydropicene-4 a-carboxylic acid
  • MW: 586.842 | Formula: C36H58O6
  • H donors: 2 H acceptors: 5 LogP: 9.35 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(CC(C(=O)O)(C)C)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C
  • InChi: 1S/C36H58O6/c1-30(2)16-18-36(29(40)41)19-17-34(8)22(23(36)20-30)10-11-25-33(7)14-13-26(42-27(37)21-31(3,4)28(38)39)32(5,6)24(33)12-15-35(25,34)9/h22-26H,10-21H2,1-9H3,(H,38,39)(H,40,41)/t22-,23+,24+,25-,26+,33+,34-,35-,36+/m1/s1
  • InChiKey: VDGQBEZPWVNGEV-AFLQIOABSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-10-(4-hydroxy-3,3-dimethyl-4-oxo-butanoyl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid
  • (4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-10-(4-hydroxy-3,3-dimethyl-1,4-dioxobutoxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid
  • (4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-10-(4-hydroxy-4-keto-3,3-dimethyl-butanoyl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid
  • AIDS-112545
  • AIDS112545
  • Butanedioic acid, 2,2-dimethyl-, 4-[(3.beta.)-28-hydroxy-28-oxooleanan-3-yl] ester

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
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0027 0.0052 0.0087
Echinococcus multilocularis Calcium binding protein 0.0022 0.0001 0.0002
Brugia malayi Myosin regulatory light chain 1 0.0022 0.0001 0.0002
Toxoplasma gondii calcium binding protein precursor, putative 0.0022 0.0001 0.0005
Loa Loa (eye worm) cathepsin B 0.0178 0.1766 0.3012
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0027 0.0052 0.0152
Schistosoma mansoni calpain-7 (C02 family) 0.0089 0.0759 0.1294
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0089 0.0759 0.1293
Onchocerca volvulus 0.0043 0.0242 0.1378
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0124 0.0211
Leishmania major kinesin, putative 0.0062 0.0455 0.122
Brugia malayi Heterochromatin protein 1 0.0068 0.0518 0.0883
Loa Loa (eye worm) hypothetical protein 0.0043 0.0242 0.0412
Trypanosoma brucei hypothetical protein, conserved 0.0044 0.0245 0.0583
Brugia malayi calpain family protein 1 0.0236 0.2428 0.414
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0027 0.0052 0.0087
Schistosoma mansoni myosin regulatory light chain 0.0022 0.0001 0.0002
Onchocerca volvulus 0.0043 0.0242 0.1378
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0245 0.0726
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0089 0.0759 0.1293
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0311 0.0531
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0054 0.0157
Trypanosoma brucei caltractin, putative 0.0039 0.0195 0.0433
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0242 0.0574
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0027 0.0052 0.0087
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0311 0.0531
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0318 0.3357 0.5724
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0044 0.0245 0.5
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0089 0.0759 0.1293
Schistosoma mansoni hypothetical protein 0.0027 0.0052 0.0089
Loa Loa (eye worm) hypothetical protein 0.0043 0.0242 0.0412
Brugia malayi Probable myosin regulatory light chain 0.0022 0.0001 0.0002
Schistosoma mansoni calmodulin-related 0.0022 0.0001 0.0002
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0318 0.3357 0.5723
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2901 0.2725
Onchocerca volvulus 0.0043 0.0242 0.1378
Trypanosoma brucei calpain-like protein, putative 0.0089 0.0759 0.2139
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0027 0.0052 0.0087
Trypanosoma brucei calpain-like protein, putative 0.0089 0.0759 0.2139
Brugia malayi Neuronal calcium sensor family protein 1 0.0022 0.0001 0.0002
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0311 0.0784
Trichomonas vaginalis calpain, putative 0.0027 0.0052 0.0152
Schistosoma mansoni myosin regulatory light chain 0.0022 0.0001 0.0002
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0242 0.072
Loa Loa (eye worm) hypothetical protein 0.0147 0.1417 0.2417
Mycobacterium ulcerans hypothetical protein 0.0044 0.0245 0.0003
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0253 0.2622 0.4471
Schistosoma mansoni immunophilin 0.0318 0.3357 0.5724
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0044 0.0245 0.0417
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0089 0.0759 0.2139
Loa Loa (eye worm) hypothetical protein 0.0043 0.0242 0.0412
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0027 0.0052 0.0087
Echinococcus multilocularis programmed cell death protein 6 0.0022 0.0001 0.0002
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0044 0.0245 0.0726
Echinococcus granulosus programmed cell death protein 6 0.0022 0.0001 0.0002
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0044 0.0245 0.0416
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0318 0.3357 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0242 0.0412
Echinococcus multilocularis calcyphosin protein 0.0022 0.0001 0.0002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0254 0.0432
Entamoeba histolytica grainin 2 0.0039 0.0195 0.0578
Echinococcus granulosus programmed cell death protein 0.0039 0.0195 0.0333
Trichomonas vaginalis calmodulin, putative 0.0039 0.0195 0.0578
Loa Loa (eye worm) calpain family protein 1 0.0236 0.2428 0.414
Echinococcus multilocularis chromobox protein 1 0.0068 0.0518 0.0883
Brugia malayi MAP kinase sur-1 0.005 0.0311 0.0531
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0539 0.5864 1
Schistosoma mansoni immunophilin 0.0318 0.3357 0.5724
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0044 0.0245 0.0417
Echinococcus granulosus cathepsin b 0.0539 0.5864 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0311 0.0924
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0318 0.3357 1
Echinococcus multilocularis 0.0044 0.0245 0.0417
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0054 0.0157
Toxoplasma gondii calmodulin, putative 0.0022 0.0001 0.0005
Echinococcus granulosus FK506 binding protein 2 0.0044 0.0245 0.0417
Echinococcus multilocularis hypothetical protein 0.0089 0.0759 0.1294
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0253 0.2622 0.4471
Loa Loa (eye worm) hypothetical protein 0.0022 0.0001 0.0002
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0311 0.0529
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0242 0.041
Toxoplasma gondii calpain family cysteine protease domain-containing protein 0.0027 0.0052 0.0294
Giardia lamblia Cathepsin B precursor 0.0178 0.1766 0.5261
Echinococcus multilocularis fk506 binding protein 0.0318 0.3357 0.5724
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0146 0.0248
Echinococcus multilocularis neuropeptide s receptor 0.045 0.4858 0.8284
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0254 0.0432
Entamoeba histolytica hypothetical protein 0.0035 0.0146 0.0431
Trichomonas vaginalis calcium binding protein, putative 0.0039 0.0195 0.0578
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.018 0.0533
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0539 0.5864 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0318 0.3357 1
Trypanosoma brucei calpain-like protein, putative 0.0089 0.0759 0.2139
Trichomonas vaginalis set domain proteins, putative 0.0176 0.1747 0.5203
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0044 0.0245 0.1385
Trypanosoma brucei cysteine peptidase C (CPC) 0.0178 0.1766 0.5188
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0318 0.3357 1
Toxoplasma gondii calmodulin CAM2 0.0022 0.0001 0.0005
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0242 0.0412
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0242 0.0717
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0052 0.0152
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0044 0.0245 0.0416
Onchocerca volvulus 0.0033 0.0126 0.0716
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0311 0.0924
Giardia lamblia Hypothetical protein 0.0044 0.0245 0.0726
Schistosoma mansoni hypothetical protein 0.0035 0.0146 0.0248
Brugia malayi calpain 7 0.0089 0.0759 0.1294
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0539 0.5864 1
Toxoplasma gondii EF hand domain-containing protein 0.0022 0.0001 0.0005
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0311 0.0924
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0311 0.0529
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0027 0.0052 0.0087
Schistosoma mansoni hypothetical protein 0.0044 0.0245 0.0417
Toxoplasma gondii hypothetical protein 0.0027 0.0052 0.0294
Trypanosoma brucei antigen, putative 0.0089 0.0759 0.2139
Brugia malayi beta-lactamase family protein 0.0043 0.0242 0.0412
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0146 0.0248
Onchocerca volvulus 0.0147 0.1417 0.8111
Loa Loa (eye worm) hypothetical protein 0.0022 0.0001 0.0002
Echinococcus granulosus calpain 7 C02 family 0.0089 0.0759 0.1294
Onchocerca volvulus 0.0044 0.0245 0.1396
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0089 0.0759 0.1293
Trypanosoma brucei kinesin, putative 0.0062 0.0455 0.122
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0027 0.0052 0.0087
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0044 0.0245 0.0416
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0089 0.0759 0.1293
Echinococcus granulosus calpain A 0.0253 0.2622 0.4471
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0253 0.2622 0.4471
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0254 0.0432
Echinococcus multilocularis chromobox protein 1 0.0068 0.0518 0.0883
Loa Loa (eye worm) calpain family protein 1 0.0174 0.1721 0.2935
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0126 0.0215
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0044 0.0245 0.0417
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0539 0.5864 1
Echinococcus multilocularis calpain A 0.0253 0.2622 0.4471
Schistosoma mansoni calpain C (C02 family) 0.0089 0.0759 0.1294
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0044 0.0245 1
Leishmania major hypothetical protein, conserved 0.0043 0.0242 0.0574
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0318 0.3357 0.5724
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0027 0.0052 0.0152
Brugia malayi RasGEF domain containing protein 0.0022 0.0001 0.0002
Echinococcus multilocularis calpain family protein 1, d 0.0174 0.1721 0.2935
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0318 0.3357 0.5724
Giardia lamblia Cathepsin B precursor 0.0178 0.1766 0.5261
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0044 0.0245 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0311 0.0531
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0044 0.0245 0.0583
Toxoplasma gondii ABC1 family protein 0.0043 0.0242 0.1368
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0311 0.0784
Echinococcus multilocularis programmed cell death protein 0.0039 0.0195 0.0333
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0242 0.0412
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0027 0.0052 0.0087
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0044 0.0245 0.1385
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0027 0.0052 0.0087
Loa Loa (eye worm) hypothetical protein 0.0022 0.0001 0.0002
Echinococcus granulosus Myosin regulatory light chain 0.0022 0.0001 0.0002
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0242 0.0717
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0318 0.3357 0.5724
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0318 0.3357 0.5723
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0178 0.1766 0.5261
Plasmodium falciparum calpain 0.0027 0.0052 0.0152
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0027 0.0052 0.0152
Trichomonas vaginalis calpain, putative 0.0027 0.0052 0.0152
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0318 0.3357 0.5724
Onchocerca volvulus 0.003 0.0086 0.049
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0089 0.0759 0.1293
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0089 0.0759 0.2139
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0044 0.0245 0.0583
Echinococcus granulosus neuropeptide receptor A26 0.045 0.4858 0.8284
Trypanosoma cruzi kinesin, putative 0.0062 0.0455 0.0775
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0089 0.0759 0.1293
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0318 0.3357 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0254 0.0432
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0027 0.0052 0.0152
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0044 0.0245 0.0583
Trypanosoma cruzi centrin, putative 0.0039 0.0195 0.0331
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0044 0.0245 0.0417
Brugia malayi beta-lactamase 0.0043 0.0242 0.0412
Trichomonas vaginalis fk506-binding protein, putative 0.0044 0.0245 0.0726
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0318 0.3357 1
Entamoeba histolytica protein kinase, putative 0.0063 0.046 0.1369
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0027 0.0052 0.0087
Loa Loa (eye worm) hypothetical protein 0.0209 0.2124 0.3622
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0178 0.1766 0.5188
Echinococcus multilocularis calpain 7 (C02 family) 0.0089 0.0759 0.1294
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0242 0.0412
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0254 0.0432
Trypanosoma cruzi conserved protein 0.0027 0.0052 0.0087
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0242 0.041
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase, putative 0.0044 0.0245 0.0726
Brugia malayi hypothetical protein 0.0035 0.0146 0.0248
Loa Loa (eye worm) myosin Light Chain family member 0.0022 0.0001 0.0002
Loa Loa (eye worm) calpain 0.0089 0.0759 0.1294
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0089 0.0759 0.2139
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0518 0.0883
Trichomonas vaginalis fk506-binding protein, putative 0.0318 0.3357 1
Trichomonas vaginalis calpain, putative 0.0027 0.0052 0.0152
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0318 0.3357 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0044 0.0245 0.0416
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0027 0.0052 0.0087
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0242 0.0717
Echinococcus granulosus calpain 5 0.0089 0.0759 0.1294
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0044 0.0245 0.0583
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0242 0.0412
Mycobacterium ulcerans short chain dehydrogenase 0.0903 1 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0318 0.3357 0.5723
Loa Loa (eye worm) beta-lactamase 0.0043 0.0242 0.0412
Loa Loa (eye worm) hypothetical protein 0.0027 0.0052 0.0089
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0089 0.0759 0.2139
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0027 0.0052 0.0152
Trichomonas vaginalis fk506 binding protein, putative 0.0044 0.0245 0.0726
Loa Loa (eye worm) hypothetical protein 0.0033 0.0124 0.0211
Echinococcus granulosus chromobox protein 1 0.0068 0.0518 0.0883
Entamoeba histolytica calpain large subunit domain III containing protein 0.0062 0.0455 0.1353
Loa Loa (eye worm) hypothetical protein 0.003 0.0086 0.0147
Trichomonas vaginalis esterase, putative 0.0043 0.0242 0.0717
Echinococcus granulosus neuropeptide s receptor 0.045 0.4858 0.8284
Trichomonas vaginalis hypothetical protein 0.0027 0.0052 0.0152
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0044 0.0245 0.0726
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0027 0.0052 0.0152
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0178 0.1766 0.3012
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0044 0.0245 0.1385
Loa Loa (eye worm) hypothetical protein 0.0539 0.5864 1
Loa Loa (eye worm) calpain 5 0.0062 0.0455 0.0776
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0044 0.0245 0.0726
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0274 0.286 0.4877
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0044 0.0245 0.0416
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0044 0.0245 0.0583
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0318 0.3357 0.5723
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0311 0.0924
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0311 0.0529
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0044 0.0245 0.0726
Onchocerca volvulus 0.0176 0.1747 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0318 0.3357 1
Echinococcus multilocularis cathepsin b 0.0539 0.5864 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0311 0.0924
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0311 0.0531
Trypanosoma cruzi centrin, putative 0.0039 0.0195 0.0331
Plasmodium vivax calpain, putative 0.0089 0.0759 0.2261
Schistosoma mansoni calpain-7 (C02 family) 0.0089 0.0759 0.1294
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0089 0.0759 0.2139
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0027 0.0052 0.0087
Entamoeba histolytica hypothetical protein 0.0035 0.0146 0.0431
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0518 0.1541
Loa Loa (eye worm) hypothetical protein 0.0038 0.018 0.0306
Trypanosoma brucei centrin-3 0.0039 0.0195 0.0433
Loa Loa (eye worm) hypothetical protein 0.0236 0.2428 0.414
Schistosoma mansoni hypothetical protein 0.0167 0.1647 0.2808
Echinococcus granulosus geminin 0.0167 0.1647 0.2808
Toxoplasma gondii centrin family protein 0.0022 0.0001 0.0005
Brugia malayi calpain 5 0.0027 0.0052 0.0089
Trichomonas vaginalis immunophilin, putative 0.0318 0.3357 1
Schistosoma mansoni chromobox protein 0.0068 0.0518 0.0883
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0089 0.0759 0.1293
Loa Loa (eye worm) FKBP5 protein 0.0318 0.3357 0.5724
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0318 0.3357 0.5724
Echinococcus granulosus chromobox protein 1 0.0068 0.0518 0.0883
Loa Loa (eye worm) hypothetical protein 0.0044 0.0245 0.0417
Echinococcus multilocularis calpain 0.0089 0.0759 0.1294
Loa Loa (eye worm) hypothetical protein 0.0043 0.0242 0.0412
Echinococcus multilocularis geminin 0.0167 0.1647 0.2808
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0027 0.0052 0.0087
Brugia malayi chromobox protein homolog 3 0.0038 0.018 0.0306
Echinococcus granulosus calcyphosin protein 0.0022 0.0001 0.0002
Schistosoma mansoni Mername-AA248 (C02 family) 0.0089 0.0759 0.1294
Toxoplasma gondii cathepsin B 0.0178 0.1766 1
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0044 0.0245 0.0417
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0254 0.0432
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0027 0.0052 0.0087
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0518 0.1541
Echinococcus granulosus cathepsin b 0.0539 0.5864 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0254 0.0432
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0044 0.0245 0.0726
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0245 0.0726
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0298 0.0508
Schistosoma mansoni hypothetical protein 0.0033 0.0124 0.0211
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0044 0.0245 0.5
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0044 0.0245 0.0729
Echinococcus multilocularis cathepsin b 0.0539 0.5864 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0242 0.0412
Trypanosoma brucei calpain-like protein, putative 0.0089 0.0759 0.2139
Loa Loa (eye worm) calpain D 0.0027 0.0052 0.0089
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0212 0.063
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0155 0.1504 0.2565
Echinococcus granulosus calpain 0.0089 0.0759 0.1294
Trypanosoma cruzi centrin-3 0.0039 0.0195 0.0331
Leishmania major peptidylprolyl isomerase-like protein 0.0318 0.3357 1
Giardia lamblia Cathepsin B precursor 0.0178 0.1766 0.5261
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0212 0.063
Echinococcus granulosus Calcium binding protein 0.0022 0.0001 0.0002
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0027 0.0052 0.0087
Schistosoma mansoni chromobox protein 0.0068 0.0518 0.0883
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0318 0.3357 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0146 0.0248
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0027 0.0052 0.0087
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0274 0.286 0.4877
Loa Loa (eye worm) hypothetical protein 0.0048 0.0298 0.0508
Entamoeba histolytica hypothetical protein 0.0035 0.0146 0.0431
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0242 0.0717
Brugia malayi calpain D 0.0027 0.0052 0.0089
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0236 0.2428 0.414
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0254 0.0432
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0254 0.0432
Trypanosoma brucei protein kinase, putative 0.005 0.0311 0.0784
Loa Loa (eye worm) hypothetical protein 0.0174 0.1721 0.2935
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0311 0.0784
Entamoeba histolytica calpain family cysteine protease, putative 0.0027 0.0052 0.0152
Echinococcus multilocularis calpain 5 0.0089 0.0759 0.1294
Brugia malayi Pre-SET motif family protein 0.0155 0.1504 0.2565
Schistosoma mansoni fk506 binding protein 0.0044 0.0245 0.0417
Brugia malayi beta-lactamase family protein 0.0043 0.0242 0.0412
Trypanosoma cruzi kinesin, putative 0.0062 0.0455 0.0775
Leishmania major fk506-binding protein 1-like protein 0.0318 0.3357 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0242 0.0717
Echinococcus granulosus calpain A 0.0089 0.0759 0.1294
Schistosoma mansoni calpain-2 (C02 family) 0.0027 0.0052 0.0089
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0318 0.3357 0.3192
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0044 0.0245 0.0417
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0027 0.0052 0.0087
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0044 0.0245 0.0583
Schistosoma mansoni immunophilin 0.0274 0.286 0.4877
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0311 0.0529
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0311 0.1762
Entamoeba histolytica hypothetical protein 0.0035 0.0146 0.0431
Echinococcus multilocularis programmed cell death protein 0.0039 0.0195 0.0333
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0253 0.2622 0.4471
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0318 0.3357 0.5724
Brugia malayi cathepsin B-like cysteine proteinase 0.0539 0.5864 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0298 0.0508
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0044 0.0245 0.0003
Schistosoma mansoni calpain (C02 family) 0.0089 0.0759 0.1294
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.018 0.1024
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0311 0.0531
Loa Loa (eye worm) hypothetical protein 0.0043 0.0242 0.0412
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0044 0.0245 0.0417
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0089 0.0759 0.1293
Echinococcus multilocularis neuropeptide receptor A26 0.045 0.4858 0.8284
Brugia malayi calpain 5 0.0062 0.0455 0.0776
Loa Loa (eye worm) hypothetical protein 0.0274 0.286 0.4877
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0044 0.0245 0.0417
Echinococcus multilocularis Myosin regulatory light chain 0.0022 0.0001 0.0002
Loa Loa (eye worm) myosin regulatory light chain 1 0.0022 0.0001 0.0002
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0212 0.1211
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0318 0.3357 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0089 0.0759 0.1293
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0044 0.0245 0.1385
Plasmodium vivax myosin A tail domain interacting protein MTIP, putative 0.0022 0.0001 0.0003
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0298 0.0508
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.018 0.0533
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0318 0.3357 1
Schistosoma mansoni myosin light chain 0.0022 0.0001 0.0002
Brugia malayi calpain family protein 1 0.0236 0.2428 0.414
Onchocerca volvulus 0.0044 0.0245 0.1396
Trichomonas vaginalis fk506-binding protein, putative 0.0044 0.0245 0.0726
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0178 0.1766 0.3011
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0539 0.5864 1
Schistosoma mansoni hypothetical protein 0.0167 0.1647 0.2808
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0027 0.0052 0.0087
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0242 0.0412
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0311 0.0531

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.0039 ug ml-1 Antiviral activity of the compound against HIV-1(IIIB) infected H9 cell lines. ChEMBL. 11720855
EC50 (functional) = 0.0039 ug ml-1 Antiviral activity of the compound against HIV-1(IIIB) infected H9 cell lines. ChEMBL. 11720855
IC50 (functional) = 13.7 ug ml-1 Concentration of the compound which was toxic to 50% of the mock-infected H9 lymphocyte. ChEMBL. 11720855
IC50 (functional) = 13.7 ug ml-1 Concentration of the compound which was toxic to 50% of the mock-infected H9 lymphocyte. ChEMBL. 11720855
TI (functional) = 3570 Therapeutic index of the compound was determined ChEMBL. 11720855

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 11720855

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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