Detailed information for compound 49789

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 445.567 | Formula: C26H36FNO4
  • H donors: 2 H acceptors: 2 LogP: 3.43 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: FCCCCN1CC[C@@]23C45[C@@H]1Cc1c2c(O[C@@H]3C(CC4)([C@H](C5)C(O)(C)C)OC)c(cc1)O
  • InChi: 1S/C26H36FNO4/c1-23(2,30)18-15-24-8-9-26(18,31-3)22-25(24)10-13-28(12-5-4-11-27)19(24)14-16-6-7-17(29)21(32-22)20(16)25/h6-7,18-19,22,29-30H,4-5,8-15H2,1-3H3/t18-,19-,22-,24?,25+,26?/m1/s1
  • InChiKey: ITTWYDBAQLVMMH-QFJLJEKHSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major hypothetical protein, conserved 0.0042 0.0103 0.0101
Mycobacterium ulcerans hypothetical protein 0.0042 0.0103 0.0172
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0004 0.0067
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0042 0.0103 0.0101
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0111 0.0388 0.8837
Mycobacterium tuberculosis Glucosyl-3-phosphoglycerate phosphatase GpgP 0.0042 0.0103 0.231
Echinococcus multilocularis phosphoglycerate mutase 0.0042 0.0103 0.0103
Brugia malayi Cathepsin L-like precursor 0.0017 0.0004 0.0072
Mycobacterium ulcerans phosphohistidine phosphatase SixA 0.0042 0.0103 0.0172
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.1455 0.5875 1
Leishmania major cathepsin L-like protease 0.0066 0.0203 0.02
Onchocerca volvulus Protein UBASH3A homolog 0.0042 0.0103 0.0099
Schistosoma mansoni hypothetical protein 0.0042 0.0103 0.0103
Echinococcus multilocularis microtubule associated protein 2 0.0712 0.2844 0.2844
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0004 0.0067
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0203 0.02
Loa Loa (eye worm) hypothetical protein 0.0035 0.0077 0.0077
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0017 0.0004 0.0116
Loa Loa (eye worm) phosphoglycerate mutase 0.0042 0.0103 0.0103
Brugia malayi Heterochromatin protein 1 0.0072 0.0227 0.3983
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0042 0.0103 0.0103
Leishmania major phosphoglycerate mutase family member 5, putative 0.0042 0.0103 0.0101
Onchocerca volvulus Protein UBASH3A homolog 0.0042 0.0103 0.0099
Trypanosoma cruzi glycerolphosphate mutase, putative 0.0042 0.0103 0.0101
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0098 0.4254
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0042 0.0103 0.4488
Mycobacterium ulcerans phosphoglycerate mutase 0.0042 0.0103 0.0172
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0004 0.0004
Brugia malayi Cathepsin L-like precursor 0.0017 0.0004 0.0072
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0003 0.0045
Trypanosoma brucei phosphoglycerate mutase, putative 0.0042 0.0103 0.0101
Mycobacterium ulcerans hypothetical protein 0.0042 0.0103 0.0172
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0203 0.02
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0042 0.0103 0.0101
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0004 0.0067
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0032 0.0064 0.4699
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0124 0.0439 1
Loa Loa (eye worm) cysteine protease 0.0017 0.0004 0.0004
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.0227 0.0227
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0032 0.0064 0.0064
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0133 0.0133
Trypanosoma brucei phosphoglycerate mutase protein, putative 0.0042 0.0103 0.0101
Schistosoma mansoni hypothetical protein 0.0175 0.0648 0.0648
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0042 0.0103 0.0169
Echinococcus granulosus chromobox protein 1 0.0072 0.0227 0.0227
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0042 0.0103 0.0103
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0111 0.4811
Schistosoma mansoni hypothetical protein 0.0042 0.0103 0.0103
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0042 0.0103 0.0101
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0004 0.0067
Loa Loa (eye worm) hypothetical protein 0.0017 0.0004 0.0004
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0004 0.0004
Chlamydia trachomatis 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase 0.0042 0.0103 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0103 0.0103
Brugia malayi Thioredoxin reductase 0.0049 0.0133 0.2328
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.005 0.2114
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0004 0.0004
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0004 0.0067
Loa Loa (eye worm) glutathione reductase 0.0049 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.0042 0.0103 0.0103
Plasmodium vivax glutathione reductase, putative 0.0049 0.0133 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0111 0.0107
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0103 0.4488
Trypanosoma cruzi glycerolphosphate mutase, putative 0.0042 0.0103 0.0101
Trypanosoma brucei Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative 0.0042 0.0103 0.0101
Plasmodium falciparum thioredoxin reductase 0.0049 0.0133 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0017 0.0004 0.0116
Echinococcus multilocularis geminin 0.0175 0.0648 0.0648
Echinococcus multilocularis cysteine protease 0.0017 0.0004 0.0004
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0004 0.0067
Giardia lamblia Hypothetical protein 0.1455 0.5875 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.006 0.0179 0.0177
Mycobacterium tuberculosis Probable dehydrogenase 0.0111 0.0388 0.8837
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0064 0.0061
Brugia malayi Isocitrate dehydrogenase 0.0032 0.0064 0.1118
Echinococcus granulosus chromobox protein 1 0.0072 0.0227 0.0227
Echinococcus multilocularis chromobox protein 1 0.0072 0.0227 0.0227
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0003 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0004 0.0067
Mycobacterium ulcerans acid phosphatase 0.0042 0.0103 0.0172
Toxoplasma gondii cathepsin CPL 0.0017 0.0004 0.0116
Onchocerca volvulus 0.0042 0.0103 0.0099
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0064 0.4699
Echinococcus multilocularis chromobox protein 1 0.0072 0.0227 0.0227
Trypanosoma cruzi phosphoglycerate mutase protein, putative 0.0042 0.0103 0.0101
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.2465 1 1
Onchocerca volvulus 0.2465 1 1
Leishmania major cathepsin L-like protease 0.0017 0.0004 0.0002
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0032 0.0064 0.0064
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0042 0.0103 0.4488
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0203 0.02
Onchocerca volvulus 0.0042 0.0103 0.0099
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0042 0.0103 0.0101
Schistosoma mansoni hypothetical protein 0.0042 0.0103 0.0103
Echinococcus multilocularis phosphoglycerate mutase 0.0042 0.0103 0.0103
Brugia malayi UBASH3A protein homolog 0.0042 0.0103 0.1812
Brugia malayi Cathepsin L-like precursor 0.0017 0.0004 0.0072
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0111 0.0388 0.8488
Mycobacterium tuberculosis Probable oxidoreductase 0.0124 0.0439 1
Mycobacterium ulcerans hydrolase MutT1 0.0042 0.0103 0.0172
Trypanosoma cruzi phosphoglycerate mutase family member 5, putative 0.0042 0.0103 0.0101
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0203 0.02
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0064 0.0064
Plasmodium vivax phosphoglycerate mutase, putative 0.0042 0.0103 0.7739
Leishmania major hypothetical protein, unknown function 0.0042 0.0103 0.0101
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0098 0.4254
Brugia malayi phosphoglycerate mutase family protein 0.0042 0.0103 0.1812
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0103 0.4488
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0004 0.0067
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0004 0.0067
Echinococcus multilocularis cysteine protease 0.0017 0.0004 0.0004
Brugia malayi hypothetical protein 0.0156 0.0571 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0003 0.0003
Echinococcus granulosus phosphoglycerate mutase 0.0042 0.0103 0.0103
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0111 0.0388 0.8837
Leishmania major cathepsin L-like protease 0.0017 0.0004 0.0002
Brugia malayi phosphoglycerate mutase family protein 0.0042 0.0103 0.1812
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0064 0.0064
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0004 0.0067
Leishmania major cysteine peptidase A (CPA) 0.0017 0.0004 0.0002
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0004 0.0004
Leishmania major glycerolphosphate mutase, putative 0.0042 0.0103 0.0101
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0077 0.1353
Loa Loa (eye worm) hypothetical protein 0.0042 0.0103 0.0103
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0042 0.0103 0.0103
Mycobacterium ulcerans phosphoglyceromutase 0.0042 0.0103 0.0172
Echinococcus granulosus phosphoglycerate mutase 0.0042 0.0103 0.0103
Trypanosoma cruzi phosphoglycerate mutase, putative 0.0042 0.0103 0.0101
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0004 0.0067
Onchocerca volvulus Protein UBASH3A homolog 0.0042 0.0103 0.0099
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0004 0.0004
Echinococcus granulosus cathepsin l1 0.0017 0.0004 0.0004
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.2423 0.983 0.983
Plasmodium vivax phosphoglucomutase-2, putative 0.0042 0.0103 0.7739
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0004 0.0067
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0004 0.0067
Loa Loa (eye worm) hypothetical protein 0.0051 0.0144 0.0144
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0042 0.0103 0.0101
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0111 0.4811
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.005 0.2114
Brugia malayi chromobox protein homolog 3 0.004 0.0098 0.172
Mycobacterium tuberculosis Probable reductase 0.0111 0.0388 0.8837
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0003 0.0003
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0042 0.0103 0.0101
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0004 0.0067
Onchocerca volvulus 0.0156 0.0571 0.0567
Leishmania major cathepsin L-like protease 0.0017 0.0004 0.0002
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0203 0.02
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0004 0.0067
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2465 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0144 0.0144
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0004 0.0067
Brugia malayi Cathepsin L-like precursor 0.0017 0.0004 0.0072
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0144 0.2518
Schistosoma mansoni microtubule-associated protein tau 0.0712 0.2844 0.2844
Toxoplasma gondii phosphoglycerate mutase family protein 0.0042 0.0103 0.7739
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0064 0.0061
Loa Loa (eye worm) hypothetical protein 0.0032 0.0063 0.0063
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0032 0.0064 0.0061
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0064 0.4699
Loa Loa (eye worm) hypothetical protein 0.0156 0.0571 0.0571
Leishmania major phosphoglycerate mutase, putative 0.0042 0.0103 0.0101
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0042 0.0103 0.0101
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0203 0.02
Trypanosoma cruzi phosphoglycerate mutase family member 5, putative 0.0042 0.0103 0.0101
Mycobacterium tuberculosis Conserved protein 0.0042 0.0103 0.231
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0042 0.0103 0.0101
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0032 0.0064 0.1403
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0203 0.02
Loa Loa (eye worm) isocitrate dehydrogenase 0.0032 0.0064 0.0064
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0032 0.0064 0.0061
Brugia malayi glutathione reductase 0.0049 0.0133 0.2328
Echinococcus multilocularis phosphoglycerate mutase 0.0042 0.0103 0.0103
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0004 0.0004
Leishmania major cathepsin L-like protease 0.0066 0.0203 0.02
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2423 0.983 0.983
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0227 1
Mycobacterium ulcerans hypothetical protein 0.1455 0.5875 1
Plasmodium vivax vivapain-2 0.0017 0.0004 0.0116
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2465 1 1
Schistosoma mansoni hypothetical protein 0.0035 0.0077 0.0077
Schistosoma mansoni phosphoglycerate mutase 0.0042 0.0103 0.0103
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0042 0.0103 0.0169
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0203 0.02
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0124 0.0439 1
Plasmodium vivax vivapain-2 0.0017 0.0004 0.0116
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.1052 0.4229 0.4227
Echinococcus multilocularis phosphoglycerate mutase 0.0042 0.0103 0.0103
Trypanosoma cruzi phosphoglycerate mutase, putative 0.0042 0.0103 0.0101
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0004 0.0067
Leishmania major trypanothione reductase 0.0049 0.0133 0.013
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0004 0.0002
Mycobacterium tuberculosis PE-PGRS family protein PE_PGRS11 0.0042 0.0103 0.231
Toxoplasma gondii phosphoglycerate mutase PGMII 0.0042 0.0103 0.7739
Echinococcus granulosus phosphoglycerate mutase 0.0042 0.0103 0.0103
Onchocerca volvulus 0.0032 0.0063 0.0059
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0042 0.0103 0.0103
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0133 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0103 0.0103
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0004 0.0067
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0042 0.0103 0.4488
Mycobacterium tuberculosis Possible hydrolase MutT1 0.0042 0.0103 0.231
Loa Loa (eye worm) hypothetical protein 0.004 0.0098 0.0098
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0042 0.0103 0.0101
Plasmodium falciparum phosphoglycerate mutase, putative 0.0042 0.0103 0.7739
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.2423 0.983 0.983
Onchocerca volvulus Protein UBASH3A homolog 0.0042 0.0103 0.0099
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0042 0.0103 0.0101
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0203 0.02
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0133 0.0133
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1052 0.4229 0.4227
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0004 0.0067
Loa Loa (eye worm) fibroinase 0.0017 0.0004 0.0004
Echinococcus granulosus neuropeptide s receptor 0.0477 0.1884 0.1884
Giardia lamblia Hypothetical protein 0.1455 0.5875 1
Toxoplasma gondii phosphoglycerate mutase family protein 0.0042 0.0103 0.7739
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0003 0.5
Toxoplasma gondii phosphoglycerate mutase family protein 0.0042 0.0103 0.7739
Echinococcus granulosus phosphoglycerate mutase 0.0042 0.0103 0.0103
Leishmania major cathepsin L-like protease 0.0066 0.0203 0.02
Toxoplasma gondii phosphoglycerate mutase family protein 0.0042 0.0103 0.7739
Mycobacterium ulcerans phosphoglycerate mutase 0.0042 0.0103 0.0172
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.1413 0.5705 0.5705
Plasmodium falciparum phosphoglucomutase-2 0.0042 0.0103 0.7739
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0064 0.0064
Entamoeba histolytica phosphoglycerate mutase family protein. putative 0.0042 0.0103 0.0169
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0042 0.0103 0.4488
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0203 0.02
Schistosoma mansoni 6-phosphofructokinase 0.2465 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0004 0.0004
Leishmania major cathepsin L-like protease 0.0017 0.0004 0.0002
Mycobacterium tuberculosis Conserved hypothetical protein 0.0042 0.0103 0.231
Echinococcus multilocularis phosphoglycerate mutase 0.0042 0.0103 0.0103
Mycobacterium ulcerans bifunctional RNase H/acid phosphatase 0.0042 0.0103 0.0172
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0042 0.0103 0.0101
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.1455 0.5875 1
Schistosoma mansoni phosphoglycerate mutase 0.0042 0.0103 0.0103
Plasmodium falciparum glutathione reductase 0.0049 0.0133 1
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0042 0.0103 0.4488
Trypanosoma brucei glycerolphosphate mutase, putative 0.0042 0.0103 0.0101
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0004 0.0072
Treponema pallidum phosphoglyceromutase 0.0042 0.0103 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0004 0.0067
Loa Loa (eye worm) ctsf protein 0.0017 0.0004 0.0004
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0203 0.02
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0203 0.02
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0133 0.013
Trypanosoma brucei trypanothione reductase 0.0049 0.0133 0.013
Loa Loa (eye worm) hypothetical protein 0.2465 1 1
Brugia malayi isocitrate dehydrogenase 0.0032 0.0064 0.1118
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1052 0.4229 0.4227
Echinococcus granulosus geminin 0.0175 0.0648 0.0648
Loa Loa (eye worm) hypothetical protein 0.2423 0.983 0.983
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.0145 0.0142
Schistosoma mansoni chromobox protein 0.0072 0.0227 0.0227
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.0133 0.2985
Mycobacterium tuberculosis Conserved protein 0.0042 0.0103 0.231
Toxoplasma gondii phosphoglycerate mutase 0.0042 0.0103 0.7739
Echinococcus multilocularis phosphoglycerate mutase 0.0042 0.0103 0.0103
Schistosoma mansoni hypothetical protein 0.0175 0.0648 0.0648
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2465 1 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0098 0.0094
Leishmania major cathepsin L-like protease 0.0017 0.0004 0.0002
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0004 0.0004
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0004 0.0004
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0124 0.0439 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0032 0.0064 0.0064
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0004 0.0067
Leishmania major fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein 0.0042 0.0103 0.0101
Schistosoma mansoni hypothetical protein 0.0042 0.0103 0.0103
Mycobacterium tuberculosis Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM) 0.0042 0.0103 0.231
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1052 0.4229 0.4227
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.2423 0.983 0.983
Echinococcus multilocularis neuropeptide receptor A26 0.0477 0.1884 0.1884
Brugia malayi Cathepsin L-like precursor 0.0017 0.0004 0.0072
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0064 0.0061
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0004 0.0067
Echinococcus granulosus microtubule associated protein 2 0.0712 0.2844 0.2844
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0133 0.0133
Brugia malayi Cathepsin L-like precursor 0.0017 0.0004 0.0072
Leishmania major phosphoglycerate mutase protein, putative 0.0042 0.0103 0.0101
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0032 0.0064 0.0064
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0144 0.2518
Mycobacterium tuberculosis Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0042 0.0103 0.231
Schistosoma mansoni chromobox protein 0.0072 0.0227 0.0227
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0203 0.02
Echinococcus granulosus phosphoglycerate mutase 0.0042 0.0103 0.0103
Echinococcus multilocularis neuropeptide s receptor 0.0477 0.1884 0.1884
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0004 0.0067
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0003 0.0003
Plasmodium falciparum cysteine proteinase falcipain 3 0.0017 0.0004 0.0116
Toxoplasma gondii thioredoxin reductase 0.0049 0.0133 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0004 0.0067
Schistosoma mansoni hypothetical protein 0.0042 0.0103 0.0103
Echinococcus granulosus neuropeptide receptor A26 0.0477 0.1884 0.1884
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0111 0.0388 0.8837
Leishmania major hypothetical protein, conserved 0.0042 0.0103 0.0101
Mycobacterium ulcerans lipoprotein LpqD 0.0042 0.0103 0.0172
Mycobacterium tuberculosis Probable conserved lipoprotein LpqD 0.0042 0.0103 0.231
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0032 0.0064 0.4699
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0004 0.0067
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2465 1 1
Leishmania major hypothetical protein, conserved 0.0042 0.0103 0.0101
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0111 0.0388 0.8837
Trypanosoma cruzi phosphoglycerate mutase protein, putative 0.0042 0.0103 0.0101
Trypanosoma cruzi cruzipain precursor, putative 0.0066 0.0203 0.02
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0203 0.02
Schistosoma mansoni hypothetical protein 0.0042 0.0103 0.0103
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0227 1
Onchocerca volvulus 0.0042 0.0103 0.0099

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 10.7 nM Binding affinity (Ki) was determined towards Opioid receptors by competition with [3H]-diprenorphine in rat whole brain membrane preparation ChEMBL. 2158564
logP = -0.22 Partition coefficient (logP) calculated between octanol-water for the free base of the compound relative to diprenorphine. ChEMBL. 2158564

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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