Detailed information for compound 112467

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 291.127 | Formula: C12H12Cl2O4
  • H donors: 2 H acceptors: 3 LogP: 2.73 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@@H]1C[C@@](O)(CC(=O)O)c2c(O1)cc(c(c2)Cl)Cl
  • InChi: 1S/C12H12Cl2O4/c1-6-4-12(17,5-11(15)16)7-2-8(13)9(14)3-10(7)18-6/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
  • InChiKey: RRJBMYLAXVCLQD-SREIQFSDSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldo-keto reductase family 1, member B1 (aldose reductase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma cruzi aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei prostaglandin f synthase Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans see also nonallelic CaP19.2244 Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana prostaglandin f2-alpha synthase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni pol-related Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium tuberculosis Probable oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma congolense prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei gambiense aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Neospora caninum Oxidoreductase, aldo/keto reductase family, related Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldehyde reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum ko:K00011 aldehyde reductase [EC1.1.1.21], putative Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma cruzi aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldehyde reductase Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium ulcerans oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma congolense aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei gambiense prostaglandin f synthase. putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Giardia lamblia Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans see also nonallelic CaP19.2244 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium leprae Conserved hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani aldehyde reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Toxoplasma gondii aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum IPR001395,Aldo/keto reductase,domain-containing Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium leprae PROBABLE OXIDOREDUCTASE Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Giardia lamblia Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani prostaglandin f2-alpha synthase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Conserved protein aldo-keto reductase family 1, member B1 (aldose reductase) 316 aa 325 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.038 0.0106 0.0106
Schistosoma mansoni P2X receptor subunit 0.0268 0.0073 0.0072
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0201 0.0052 0.0051
Toxoplasma gondii prolyl endopeptidase 0.0201 0.0052 0.0075
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0122 0.0029 0.0025
Echinococcus granulosus p2X purinoceptor 4 0.0268 0.0073 0.0073
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0422 0.0119 0.0177
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0122 0.0029 0.0038
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0122 0.0029 0.0038
Echinococcus granulosus dihydrofolate reductase 3.3169 1 1
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.038 0.0106 0.0106
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 2.1773 0.6562 1
Brugia malayi prolyl oligopeptidase family protein 0.0665 0.0192 0.0191
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0003 0.0003
Schistosoma mansoni aldo-keto reductase 0.0038 0.0003 0.0002
Entamoeba histolytica prolyl oligopeptidase family protein 0.0084 0.0017 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 3.3169 1 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0122 0.0029 0.0025
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0361 0.0101 0.0101
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0003 0.0002
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0098 0.0021 0.0021
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0084 0.0017 0.0016
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0003 0.0003
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0117 0.0027 0.0024
Trypanosoma brucei prolyl endopeptidase 0.0201 0.0052 0.0075
Onchocerca volvulus 0.0038 0.0003 0.0017
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0003 0.0003
Trypanosoma cruzi hypothetical protein, conserved 0.0084 0.0017 0.0021
Loa Loa (eye worm) oxidoreductase 0.0038 0.0003 0.0002
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0195 0.0051 0.005
Echinococcus granulosus p2X purinoceptor 4 0.0268 0.0073 0.0073
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0201 0.0052 0.0075
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0422 0.0119 0.0177
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0003 0.0002
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0084 0.0017 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.0422 0.0119 0.0119
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0122 0.0029 0.0038
Trypanosoma cruzi prolyl endopeptidase 0.0201 0.0052 0.0075
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0098 0.0021 0.0021
Onchocerca volvulus 0.0038 0.0003 0.0017
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0361 0.0101 0.01
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0361 0.0101 0.0101
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0361 0.0101 0.01
Mycobacterium ulcerans dihydrofolate reductase DfrA 3.3169 1 1
Brugia malayi thymidylate synthase 0.4615 0.1384 0.1383
Brugia malayi Dihydrofolate reductase 3.3169 1 1
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0361 0.0101 0.01
Loa Loa (eye worm) oxidoreductase 0.0038 0.0003 0.0002
Onchocerca volvulus 0.0038 0.0003 0.0017
Schistosoma mansoni hypothetical protein 0.0361 0.0101 0.01
Trypanosoma brucei oligopeptidase b 0.0122 0.0029 0.0038
Schistosoma mansoni pol-related 0.0038 0.0003 0.0002
Onchocerca volvulus 0.0038 0.0003 0.0017
Schistosoma mansoni P2X receptor subunit 0.0268 0.0073 0.0072
Onchocerca volvulus Deterin homolog 0.0361 0.0101 0.0722
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0003 0.0003
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 2.1773 0.6562 1
Trypanosoma brucei prolyl oligopeptidase, putative 0.0122 0.0029 0.0038
Echinococcus granulosus apoptotic protease activating factor 1 0.003 0.0001 0.0001
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0003 0.0003
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.4615 0.1384 0.1383
Echinococcus multilocularis prolyl endopeptidase 0.0201 0.0052 0.0052
Trypanosoma cruzi oligopeptidase b 0.0122 0.0029 0.0038
Loa Loa (eye worm) oxidoreductase 0.0038 0.0003 0.0002
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.4615 0.1384 0.1381
Mycobacterium tuberculosis Hypothetical protein 0.2195 0.0654 0.0651
Echinococcus multilocularis inhibitor of apoptosis protein 0.0361 0.0101 0.0101
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0003 0.0003
Echinococcus multilocularis acylamino acid releasing enzyme 0.0084 0.0017 0.0017
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.038 0.0106 0.0105
Brugia malayi prolyl oligopeptidase family protein 0.0084 0.0017 0.0016
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0084 0.0017 0.0021
Onchocerca volvulus Prolyl endopeptidase homolog 0.0201 0.0052 0.0371
Mycobacterium ulcerans thymidylate synthase 0.4615 0.1384 0.1381
Echinococcus multilocularis aldo keto reductase 0.0038 0.0003 0.0003
Schistosoma mansoni aldo-keto reductase 0.0038 0.0003 0.0002
Leishmania major dihydrofolate reductase-thymidylate synthase 2.1773 0.6562 1
Schistosoma mansoni P2X receptor subunit 0.0268 0.0073 0.0072
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.031 0.0085 0.0125
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0422 0.0119 0.0119
Echinococcus multilocularis dihydrofolate reductase 3.3169 1 1
Brugia malayi hypothetical protein 0.0227 0.006 0.0059
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0122 0.0029 0.0038
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0261 0.0071 0.007
Brugia malayi hypothetical protein 0.2195 0.0654 0.0653
Echinococcus multilocularis apoptotic protease activating factor 1 0.003 0.0001 0.0001
Leishmania major oligopeptidase b 0.0122 0.0029 0.0038
Echinococcus granulosus acylamino acid releasing enzyme 0.0084 0.0017 0.0017
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0003 0.0003
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0665 0.0192 0.0191
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0084 0.0017 0.021
Onchocerca volvulus 0.0038 0.0003 0.0017
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0003 0.0003
Brugia malayi prolyl oligopeptidase family protein 0.0084 0.0017 0.0016
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0003 0.0003
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0003 0.0003
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0003 0.0003
Brugia malayi Subtilase family protein 0.0261 0.0071 0.007
Echinococcus multilocularis p2X purinoceptor 4 0.0268 0.0073 0.0073
Echinococcus granulosus p2X purinoceptor 4 0.0268 0.0073 0.0073
Brugia malayi prolyl oligopeptidase family protein 0.0422 0.0119 0.0118
Echinococcus multilocularis caspase 2 0.003 0.0001 0.0001
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0665 0.0192 0.0192
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0003 0.0003
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0003 0.0003
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.0017 0.021
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0084 0.0017 0.0016
Onchocerca volvulus 0.4615 0.1384 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0084 0.0017 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0003 0.0003
Echinococcus granulosus inhibitor of apoptosis protein 0.0361 0.0101 0.0101
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0017 0.021
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0084 0.0017 0.0021
Echinococcus multilocularis aldo keto reductase 0.0038 0.0003 0.0003
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 3.3169 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0084 0.0017 0.0021
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0084 0.0017 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0422 0.0119 0.0177
Echinococcus granulosus thymidylate synthase 0.4615 0.1384 0.1384
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.2195 0.0654 0.0992
Echinococcus multilocularis aldo keto reductase 0.0038 0.0003 0.0003
Loa Loa (eye worm) thymidylate synthase 0.4615 0.1384 0.1383
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 2.1773 0.6562 1
Trichomonas vaginalis conserved hypothetical protein 0.2195 0.0654 1
Loa Loa (eye worm) hypothetical protein 0.0227 0.006 0.0059
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0003 0.0003
Loa Loa (eye worm) prolyl oligopeptidase 0.0084 0.0017 0.0016
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 2.1773 0.6562 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0003 0.0002
Onchocerca volvulus 0.0361 0.0101 0.0722
Schistosoma mansoni inhibitor of apoptosis protein 0.0361 0.0101 0.01
Echinococcus granulosus hypothetical protein 0.0038 0.0003 0.0003
Loa Loa (eye worm) dihydrofolate reductase 3.3169 1 1
Loa Loa (eye worm) subtilase 0.0261 0.0071 0.007
Brugia malayi prolyl oligopeptidase family protein 0.0201 0.0052 0.0051
Giardia lamblia Alanyl dipeptidyl peptidase 0.0084 0.0017 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0122 0.0029 0.0029
Mycobacterium tuberculosis Probable peptidase 0.0122 0.0029 0.0025
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0003 0.0003
Loa Loa (eye worm) oxidoreductase 0.0038 0.0003 0.0002
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0038 0.0003 0.0003
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0665 0.0192 0.0192
Entamoeba histolytica prolyl oligopeptidase family protein 0.0084 0.0017 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 2.1773 0.6562 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0422 0.0119 0.0177
Loa Loa (eye worm) prolyl oligopeptidase 0.0665 0.0192 0.0191
Entamoeba histolytica prolyl oligopeptidase family protein 0.0084 0.0017 1
Echinococcus granulosus aldo keto reductase 0.0038 0.0003 0.0003
Echinococcus multilocularis thymidylate synthase 0.4615 0.1384 0.1384
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0422 0.0119 0.0118
Chlamydia trachomatis dihydrofolate reductase 3.3169 1 0.5
Echinococcus granulosus prolyl endopeptidase 0.0201 0.0052 0.0052
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0201 0.0052 0.0051
Loa Loa (eye worm) hypothetical protein 0.0201 0.0052 0.0051
Echinococcus multilocularis p2X purinoceptor 4 0.0268 0.0073 0.0073
Toxoplasma gondii hypothetical protein 0.0084 0.0017 0.0021
Loa Loa (eye worm) hypothetical protein 0.0361 0.0101 0.01
Brugia malayi Cytochrome P450 family protein 0.0048 0.0006 0.0005
Entamoeba histolytica hypothetical protein, conserved 0.0084 0.0017 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0038 0.0003 0.0002
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 0.0006 0.0005
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0665 0.0192 0.1384
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0422 0.0119 0.0177
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.0003 0.0003
Loa Loa (eye worm) oxidoreductase 0.0038 0.0003 0.0002
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.4615 0.1384 0.1384
Loa Loa (eye worm) hypothetical protein 0.0038 0.0003 0.0002
Echinococcus granulosus caspase 2 0.003 0.0001 0.0001
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0361 0.0101 0.01
Loa Loa (eye worm) hypothetical protein 0.0084 0.0017 0.0016
Trypanosoma cruzi oligopeptidase b 0.0122 0.0029 0.0038
Schistosoma mansoni dihydrofolate reductase 3.3169 1 1
Onchocerca volvulus 0.0038 0.0003 0.0017
Echinococcus multilocularis aldo keto reductase 0.0038 0.0003 0.0003
Schistosoma mansoni P2X receptor subunit 0.0268 0.0073 0.0072
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.0003 0.0003
Echinococcus granulosus aldo keto reductase 0.0038 0.0003 0.0003
Echinococcus multilocularis p2X purinoceptor 4 0.0268 0.0073 0.0073
Echinococcus granulosus aldo keto reductase 0.0038 0.0003 0.0003

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 8.06 mg kg-1 Effective dose was tested against the inhibition of sorbitol accumulation in sciatic nerves from streptozotocin-diabetic rats dosed at 3*25 mg/kg over 27h. ChEMBL. 1613744
IC50 (binding) = 0.0000000509 M Inhibitory activity against human placental aldose reductase ChEMBL. 1613744
IC50 (binding) = 0.0000000509 M Inhibitory activity against human placental aldose reductase ChEMBL. 1613744
IC50 (binding) = 0.00000014 M Compound was tested in vitro for its inhibitory activity against human placental aldose reductase ChEMBL. 1613744
IC50 (binding) = 0.00000014 M Compound was tested in vitro for its inhibitory activity against human placental aldose reductase ChEMBL. 1613744
IC50 (binding) = 0.000000156 M ARI(aldose reductase inhibitor) enantiospecificity of the compound was tested against human placental aldose reductase. ChEMBL. 1613744
IC50 (binding) = 0.000000156 M ARI(aldose reductase inhibitor) enantiospecificity of the compound was tested against human placental aldose reductase. ChEMBL. 1613744
IC50 (binding) = 0.00000562 M ARI(aldose reductase inhibitor) enantiospecificity of the compound was tested against human placental aldose reductase. ChEMBL. 1613744
IC50 (binding) = 0.00000562 M ARI(aldose reductase inhibitor) enantiospecificity of the compound was tested against human placental aldose reductase. ChEMBL. 1613744
IC50 (binding) = 0.18 uM Inhibitory activity against human placental aldose reductase ChEMBL. 1613744
IC50 (binding) = 0.18 uM Inhibitory activity against human placental aldose reductase ChEMBL. 1613744
Inhibition (functional) = 31 % In vivo inhibition of sorbitol accumulation in sciatic nerves from streptozotocin-diabetic rats dosed over 5 days. at a dose of 2.5 mg/kg ChEMBL. 1613744
Inhibition (functional) = 34 % In vivo inhibition of sorbitol accumulation in sciatic nerves from streptozotocin-diabetic rats dosed over 5 days. at a dose of 5 mg/kg ChEMBL. 1613744
Inhibition (functional) = 39 % In vivo inhibition of sorbitol accumulation in sciatic nerves from streptozotocin-diabetic rats dosed at 1*25 mg/kg over 5 days. ChEMBL. 1613744
Inhibition (functional) = 49 % In vivo inhibition of sorbitol accumulation in sciatic nerves from streptozotocin-diabetic rats given three doses over 27 h. at a dose of 2.5 mg/kg ChEMBL. 1613744
Inhibition (functional) = 53 % In vivo inhibition of sorbitol accumulation in sciatic nerves from streptozotocin-diabetic rats dosed at 3*25 mg/kg over 27h. ChEMBL. 1613744
Inhibition (functional) = 60 % In vivo inhibition of sorbitol accumulation in sciatic nerves from streptozotocin-diabetic rats dosed over 27 h. at a dose of 5 mg/kg ChEMBL. 1613744
Inhibition (functional) = 68 % In vivo inhibition of sorbitol accumulation in sciatic nerves from streptozotocin-diabetic rats dosed over 5 days. at a dose of 10 mg/kg ChEMBL. 1613744
Inhibition (functional) = 70 % In vivo inhibition of sorbitol accumulation in sciatic nerves from streptozotocin-diabetic rats dosed over 27 h. at a dose of 10 mg/kg ChEMBL. 1613744
Inhibition (functional) = 78 % In vivo inhibition of sorbitol accumulation in sciatic nerves from streptozotocin-diabetic rats dosed over 27 h. at a dose of 25 mg/kg ChEMBL. 1613744
Inhibition (functional) = 89 % In vivo inhibition of sorbitol accumulation in sciatic nerves from streptozotocin-diabetic rats dosed over 27 h. at a dose of 25 mg/kg ChEMBL. 1613744
Inhibition (functional) = 91 % Inhibition of sorbitol accumulation in sciatic nerves from streptozotocin-diabetic rats dosed at 3*25 mg/kg over 27h. ChEMBL. 1613744
Tissue levels (functional) = 6.01 ug ml-1 Nerve concentration of the compound at 3h after the last dose of 25 mg/kg for 5 days. ChEMBL. 1613744
Tissue levels (functional) = 19.7 ug ml-1 Plasma concentration of the compound at 3h after the last dose of 25 mg/kg for 5 days. ChEMBL. 1613744

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

Bibliographic References

1 literature reference was collected for this gene.

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