Detailed information for compound 1403640

Basic information

Technical information
  • TDR Targets ID: 1403640
  • Name: (3,3,5-trimethyl-6-oxo-2-phenyl-2H-pyran-4-yl ) benzoate
  • MW: 336.381 | Formula: C21H20O4
  • H donors: 0 H acceptors: 2 LogP: 4.59 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1)OC1=C(C)C(=O)OC(C1(C)C)c1ccccc1
  • InChi: 1S/C21H20O4/c1-14-17(24-20(23)16-12-8-5-9-13-16)21(2,3)18(25-19(14)22)15-10-6-4-7-11-15/h4-13,18H,1-3H3
  • InChiKey: UXXMZHQXFIACTH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • benzoic acid (3,3,5-trimethyl-6-oxo-2-phenyl-2H-pyran-4-yl) ester
  • benzoic acid (6-keto-3,3,5-trimethyl-2-phenyl-2H-pyran-4-yl) ester
  • TimTec1_005818
  • Benzoic acid, 3,3,5-trimethyl-6-oxo-2-phenyl-3,6-dihydro-2H-pyran-4-yl ester
  • AG-205/15156343
  • EU-0052693
  • A2402/0101745
  • Benzoic acid 3,3,5-trimethyl-6-oxo-2-phenyl-3,6-dihydro-2H-pyran-4-yl ester
  • MLS000554324
  • SMR000146641

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.0877 0.0864
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0663 0.3749 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0548 0.281 0.6202
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.0877 0.2338
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0663 0.3749 1
Leishmania major cathepsin L-like protease 0.0663 0.3749 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0663 0.3749 1
Plasmodium vivax vivapain-2 0.0663 0.3749 1
Echinococcus granulosus cathepsin l1 0.0663 0.3749 0.2835
Entamoeba histolytica cysteine protease, putative 0.0663 0.3749 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0663 0.3749 1
Onchocerca volvulus Cathepsin F homolog 0.0663 0.3749 1
Toxoplasma gondii cathepsin CPL 0.0663 0.3749 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0663 0.3749 0.3741
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0663 0.3749 1
Leishmania major cathepsin L-like protease 0.0663 0.3749 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0663 0.3749 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.0877 0.2338
Brugia malayi Cathepsin L-like cysteine proteinase 0.0457 0.2063 0.2053
Entamoeba histolytica cysteine proteinase, putative 0.0663 0.3749 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0361 0.1276 0.1265
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0663 0.3749 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0663 0.3749 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0663 0.3749 1
Brugia malayi Cathepsin L-like precursor 0.0663 0.3749 0.3741
Onchocerca volvulus 0.0663 0.3749 1
Leishmania major cysteine peptidase A (CPA) 0.0663 0.3749 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0663 0.3749 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0663 0.3749 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0663 0.3749 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0457 0.2063 0.2053
Loa Loa (eye worm) hypothetical protein 0.0663 0.3749 0.3741
Loa Loa (eye worm) cysteine protease 0.0663 0.3749 0.3741
Plasmodium vivax vivapain-1 0.0361 0.1276 0.3381
Echinococcus multilocularis cysteine protease 0.0663 0.3749 0.2835
Trypanosoma cruzi cysteine peptidase, putative 0.0663 0.3749 0.3741
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0663 0.3749 1
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.009 0.024
Echinococcus multilocularis cathepsin L cysteine protease 0.0663 0.3749 0.2835
Leishmania major cathepsin L-like protease 0.0663 0.3749 1
Echinococcus granulosus neuropeptide receptor A26 0.0563 0.2929 0.1895
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0663 0.3749 1
Trypanosoma cruzi cysteine peptidase, putative 0.0663 0.3749 0.3741
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0548 0.281 0.28
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0663 0.3749 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0663 0.3749 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0663 0.3749 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0663 0.3749 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0663 0.3749 1
Onchocerca volvulus 0.0663 0.3749 1
Onchocerca volvulus 0.0663 0.3749 1
Echinococcus multilocularis neuropeptide receptor A26 0.0563 0.2929 0.1895
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0663 0.3749 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.0877 0.2338
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0361 0.1276 0.1265
Onchocerca volvulus 0.0663 0.3749 1
Leishmania major cathepsin L-like protease 0.0663 0.3749 1
Loa Loa (eye worm) fibroinase 0.0663 0.3749 0.3741
Giardia lamblia Cathepsin B precursor 0.0548 0.281 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0663 0.3749 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0663 0.3749 1
Giardia lamblia Cathepsin B precursor 0.0548 0.281 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.009 0.024
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.0877 0.2338
Giardia lamblia Cathepsin B precursor 0.0548 0.281 0.5
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0361 0.1276 0.1265
Brugia malayi Papain family cysteine protease containing protein 0.0663 0.3749 0.3741
Leishmania major cathepsin L-like protease 0.0663 0.3749 1
Echinococcus granulosus cathepsin l1 0.0457 0.2063 0.0902
Echinococcus granulosus neuropeptide s receptor 0.0563 0.2929 0.1895
Leishmania major cathepsin L-like protease 0.0663 0.3749 1
Brugia malayi cathepsin L-like precursor 0.0457 0.2063 0.2053
Echinococcus multilocularis cathepsin L cysteine protease 0.0663 0.3749 0.2835
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0663 0.3749 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0663 0.3749 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0548 0.281 0.28
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0663 0.3749 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0663 0.3749 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0663 0.3749 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0663 0.3749 0.3741
Loa Loa (eye worm) ctsf protein 0.0663 0.3749 0.3741
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0663 0.3749 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0663 0.3749 1
Trypanosoma cruzi cysteine peptidase, putative 0.0663 0.3749 0.3741
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.0877 0.2338
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0663 0.3749 1
Schistosoma mansoni cathepsin F (C01 family) 0.0663 0.3749 0.3741
Echinococcus multilocularis cysteine protease 0.0663 0.3749 0.2835
Brugia malayi Cathepsin L-like precursor 0.0663 0.3749 0.3741
Trypanosoma cruzi cysteine proteinase, putative 0.0361 0.1276 0.1265
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0663 0.3749 1
Brugia malayi Cathepsin L-like precursor 0.0663 0.3749 0.3741
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0548 0.281 0.7495
Echinococcus multilocularis neuropeptide s receptor 0.0563 0.2929 0.1895
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0663 0.3749 1
Plasmodium vivax vivapain-2 0.0663 0.3749 1
Entamoeba histolytica cysteine proteinase, putative 0.0457 0.2063 0.3182
Echinococcus granulosus cathepsin l cysteine peptidase 0.0663 0.3749 0.2835
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0663 0.3749 1
Onchocerca volvulus 0.0663 0.3749 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0361 0.1276 0.3405
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0663 0.3749 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0663 0.3749 0.2835
Onchocerca volvulus 0.0663 0.3749 1
Trypanosoma cruzi cysteine proteinase, putative 0.0361 0.1276 0.1265
Plasmodium vivax vivapain-3 0.0361 0.1276 0.3381
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0361 0.1276 0.1265
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0663 0.3749 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0663 0.3749 1
Brugia malayi Cathepsin L-like precursor 0.0663 0.3749 0.3741
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0663 0.3749 1
Brugia malayi Papain family cysteine protease containing protein 0.0361 0.1276 0.1265
Leishmania major cathepsin L-like protease 0.0663 0.3749 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0457 0.2063 0.5503
Brugia malayi Cathepsin L-like precursor 0.0457 0.2063 0.2053
Brugia malayi Cathepsin L-like precursor 0.0663 0.3749 0.3741
Trypanosoma cruzi cruzipain precursor, putative 0.0663 0.3749 0.3741
Leishmania major cathepsin L-like protease 0.0663 0.3749 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0361 0.1276 0.3405
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.0877 0.0864
Trypanosoma cruzi cysteine peptidase, putative 0.0361 0.1276 0.1265
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0663 0.3749 1
Loa Loa (eye worm) cathepsin B 0.0548 0.281 0.28
Trypanosoma cruzi cysteine peptidase, putative 0.0663 0.3749 0.3741
Brugia malayi Cathepsin L-like precursor 0.0663 0.3749 0.3741
Onchocerca volvulus 0.0663 0.3749 1
Onchocerca volvulus 0.0457 0.2063 0.5503
Brugia malayi Cathepsin L-like precursor 0.0457 0.2063 0.2053
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.0877 0.2338
Brugia malayi Papain family cysteine protease containing protein 0.0361 0.1276 0.1265
Schistosoma mansoni cathepsin F (C01 family) 0.0457 0.2063 0.2053
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0663 0.3749 1
Loa Loa (eye worm) hypothetical protein 0.0457 0.2063 0.2053
Onchocerca volvulus Cathepsin L homolog 0.0663 0.3749 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0663 0.3749 0.2835
Loa Loa (eye worm) hypothetical protein 0.0457 0.2063 0.2053
Plasmodium vivax unspecified product 0.0361 0.1276 0.3381
Schistosoma mansoni cathepsin F (C01 family) 0.0663 0.3749 0.3741
Entamoeba histolytica cysteine proteinase, putative 0.0663 0.3749 1
Trypanosoma cruzi cysteine protease, putative 0.0361 0.1276 0.1265
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0663 0.3749 0.2835
Onchocerca volvulus Cathepsin L homolog 0.0663 0.3749 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0457 0.2063 0.5503
Loa Loa (eye worm) hypothetical protein 0.0457 0.2063 0.2053

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.6169 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS for antagonists of the Thyroid Stimulation Hormone Receptor: Hit Validation in Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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