Detailed information for compound 52208

Basic information

Technical information
  • TDR Targets ID: 52208
  • Name: [(2S,3S)-3-benzyl-1-ethylsulfonyl-4-oxoazetid in-2-yl]methyl benzoate
  • MW: 387.449 | Formula: C20H21NO5S
  • H donors: 0 H acceptors: 4 LogP: 2.97 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCS(=O)(=O)N1C(=O)[C@H]([C@H]1COC(=O)c1ccccc1)Cc1ccccc1
  • InChi: 1S/C20H21NO5S/c1-2-27(24,25)21-18(14-26-20(23)16-11-7-4-8-12-16)17(19(21)22)13-15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3/t17-,18+/m0/s1
  • InChiKey: JEQNZGQMTSGKBL-ZWKOTPCHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [(2S,3S)-3-benzyl-1-ethylsulfonyl-4-oxo-azetidin-2-yl]methyl benzoate
  • benzoic acid [(2S,3S)-3-benzyl-1-ethylsulfonyl-4-oxo-2-azetidinyl]methyl ester
  • [(2S,3S)-1-ethylsulfonyl-4-oxo-3-(phenylmethyl)azetidin-2-yl]methyl benzoate
  • benzoic acid [(2S,3S)-3-benzyl-1-esyl-4-keto-azetidin-2-yl]methyl ester
  • benzoic acid [(2S,3S)-1-ethylsulfonyl-4-oxo-3-(phenylmethyl)-2-azetidinyl]methyl ester
  • benzoic acid [(2S,3S)-3-(benzyl)-1-ethylsulfonyl-4-keto-azetidin-2-yl]methyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens folate hydrolase (prostate-specific membrane antigen) 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128101 All targets in OG5_128101
Schistosoma japonicum ko:K01301 glutamate carboxypeptidase II [EC3.4.17.21], putative Get druggable targets OG5_128101 All targets in OG5_128101
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128101 All targets in OG5_128101
Candida albicans similar to transferrin receptor Get druggable targets OG5_128101 All targets in OG5_128101
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128101 All targets in OG5_128101
Schistosoma mansoni NAALADASE L peptidase (M28 family) Get druggable targets OG5_128101 All targets in OG5_128101
Candida albicans hypothetical protein Get druggable targets OG5_128101 All targets in OG5_128101
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 Get druggable targets OG5_128101 All targets in OG5_128101
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
Loa Loa (eye worm) TK/ROR protein kinase 0.0017 0.0019 0.001
Brugia malayi hypothetical protein 0.0026 0.0237 0.0237
Brugia malayi Dual specificity mitogen-activated protein kinase kinase mek-2 0.0076 0.155 0.155
Echinococcus granulosus Immunoglobulin 0.0032 0.0393 0.0386
Leishmania major lysophospholipase, putative 0.006 0.1124 0.7012
Trypanosoma cruzi mitogen-activated protein kinase kinase 5 0.0076 0.155 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0932 0.5669
Loa Loa (eye worm) hypothetical protein 0.0043 0.0689 0.0681
Trypanosoma cruzi cytochrome P450, putative 0.0057 0.1035 0.6387
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0021 0.0124 0.5
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0021 0.0124 0.5
Schistosoma mansoni hypothetical protein 0.0042 0.0649 0.0548
Echinococcus multilocularis expressed conserved protein 0.0095 0.2022 0.2069
Brugia malayi CHE-14 protein 0.0043 0.0689 0.0689
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0021 0.0124 0.5
Giardia lamblia Kinase, STE STE20 0.0076 0.155 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0036 0.0508 0.0505
Mycobacterium leprae putative cytochrome p450 0.0021 0.0124 0.5
Schistosoma mansoni lipoxygenase 0.0168 0.3923 0.3968
Trypanosoma brucei protein kinase, putative 0.0053 0.0932 0.5669
Schistosoma mansoni tyrosine kinase 0.0022 0.0134 0.0011
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0932 0.5669
Echinococcus granulosus cytochrome P450 2K1 0.0021 0.0124 0.0109
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0032 0.0393 0.0281
Loa Loa (eye worm) hypothetical protein 0.0124 0.2777 0.2771
Schistosoma mansoni hypothetical protein 0.0042 0.0649 0.0548
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.0932 0.0943
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0541 0.2929
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0932 0.0844
Leishmania major cytochrome p450-like protein 0.0057 0.1035 0.6387
Schistosoma mansoni nephrin 0.0043 0.0693 0.0595
Loa Loa (eye worm) norepinephrine transporter 0.0089 0.187 0.1863
Echinococcus multilocularis Immunoglobulin 0.0032 0.0393 0.0386
Brugia malayi Cytochrome P450 family protein 0.006 0.1136 0.1136
Brugia malayi MAP kinase sur-1 0.0053 0.0932 0.0932
Schistosoma mansoni hypothetical protein 0.0035 0.0472 0.0364
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0689 0.0681
Loa Loa (eye worm) cytochrome P450 family protein 0.006 0.1136 0.1128
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0021 0.0124 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0891 0.0891
Schistosoma mansoni patched 1 0.0043 0.0689 0.059
Trypanosoma brucei lysophospholipase, putative 0.006 0.1124 0.7012
Loa Loa (eye worm) hypothetical protein 0.0089 0.187 0.1863
Onchocerca volvulus 0.0038 0.056 0.2923
Echinococcus granulosus RUN 0.0038 0.056 0.0559
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0932 0.2825
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0237 0.0793
Brugia malayi Niemann-Pick C1 protein precursor 0.0101 0.218 0.218
Plasmodium vivax multidomain scavenger receptor, putative 0.0038 0.056 1
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.0932 0.0943
Loa Loa (eye worm) hypothetical protein 0.0032 0.0393 0.0384
Loa Loa (eye worm) hypothetical protein 0.0124 0.2777 0.2771
Loa Loa (eye worm) hypothetical protein 0.0048 0.0809 0.0801
Trichomonas vaginalis STE family protein kinase 0.0076 0.155 1
Echinococcus multilocularis slit 2 protein 0.0052 0.0914 0.0924
Brugia malayi Phospholipase/Carboxylesterase family protein 0.006 0.1124 0.1124
Brugia malayi hypothetical protein 0.0038 0.056 0.056
Echinococcus multilocularis neuroglian 0.0043 0.0693 0.0697
Trichomonas vaginalis STE family protein kinase 0.0076 0.155 1
Schistosoma mansoni acyl-protein thioesterase 12 (lysophospholipase III) 0.006 0.1124 0.1044
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0932 0.2825
Loa Loa (eye worm) hypothetical protein 0.0152 0.3513 0.3507
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.0932 0.0943
Trypanosoma brucei cytochrome P450, putative 0.0057 0.1035 0.6387
Loa Loa (eye worm) hypothetical protein 0.0032 0.0393 0.0384
Schistosoma mansoni rab6-interacting 0.0038 0.056 0.0456
Echinococcus granulosus slit 2 protein 0.0052 0.0914 0.0924
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.0932 0.8084
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0102 0.222 0.2189
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.0932 0.5669
Echinococcus granulosus Niemann Pick C1 protein 0.0144 0.3301 0.339
Leishmania major hypothetical protein, conserved 0.0026 0.0237 0.0793
Brugia malayi laminin-like protein K08C7.3 precursor 0.0052 0.0914 0.0914
Schistosoma mansoni lipoxygenase 0.0099 0.2138 0.2103
Trypanosoma brucei mitogen-activated protein kinase kinase 5 0.0076 0.155 1
Schistosoma mansoni hypothetical protein 0.0042 0.0649 0.0548
Loa Loa (eye worm) hypothetical protein 0.0026 0.0237 0.0228
Loa Loa (eye worm) doublecortin family protein 0.0038 0.056 0.0552
Loa Loa (eye worm) hypothetical protein 0.0035 0.0472 0.0464
Echinococcus multilocularis acyl protein thioesterase 1 0.006 0.1124 0.1141
Loa Loa (eye worm) hypothetical protein 0.0036 0.0508 0.05
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0237 0.0793
Echinococcus multilocularis Immunoglobulin 0.0032 0.0393 0.0386
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0689 0.0692
Echinococcus granulosus pikachurin 0.0052 0.0914 0.0924
Echinococcus multilocularis protein patched 0.0043 0.0689 0.0692
Loa Loa (eye worm) cytochrome P450 family protein 0.0057 0.1035 0.1027
Loa Loa (eye worm) hypothetical protein 0.0101 0.218 0.2173
Echinococcus granulosus lipoxygenase domain containing protein 0.0038 0.056 0.0559
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0021 0.0124 0.5
Brugia malayi Cytochrome P450 family protein 0.0057 0.1035 0.1035
Leishmania major mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860 0.0076 0.155 1
Echinococcus granulosus neuroglian 0.0043 0.0693 0.0697
Treponema pallidum sodium- and chloride- dependent transporter 0.0089 0.187 0.5
Echinococcus multilocularis pikachurin 0.0052 0.0914 0.0924
Loa Loa (eye worm) hypothetical protein 0.0052 0.0914 0.0906
Schistosoma mansoni hypothetical protein 0.0042 0.0649 0.0548
Echinococcus multilocularis lipoxygenase domain containing protein 0.0038 0.056 0.0559
Schistosoma mansoni chondroitin sulfate proteoglycan-related 0.0052 0.0914 0.0825
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.0932 0.5669
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0163 0.3795 0.39
Echinococcus multilocularis protein dispatched 1 0.0049 0.0847 0.0856
Loa Loa (eye worm) hypothetical protein 0.0032 0.0393 0.0384
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0472 0.0472
Brugia malayi Thrombospondin N-terminal -like domain containing protein 0.0052 0.0914 0.0914
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0932 0.2825
Onchocerca volvulus 0.0089 0.187 1
Schistosoma mansoni rab6-interacting 0.0038 0.056 0.0456
Echinococcus granulosus lipoxygenase domain containing protein 0.0038 0.056 0.0559
Echinococcus multilocularis Niemann Pick C1 protein 0.0144 0.3301 0.339
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0891 0.0883
Loa Loa (eye worm) cytochrome P450 0.0021 0.0124 0.0115
Brugia malayi Fibronectin type III domain containing protein 0.0032 0.0393 0.0393
Brugia malayi Cytochrome P450 family protein 0.0057 0.1035 0.1035
Brugia malayi EGF-like domain containing protein 0.0052 0.0914 0.0914
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0021 0.0124 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0479 0.0471
Schistosoma mansoni slit 0.0052 0.0914 0.0825
Schistosoma mansoni laminin gamma-3 chain 0.0052 0.0914 0.0825
Schistosoma mansoni polycystin 1-related 0.0038 0.056 0.0456
Loa Loa (eye worm) hypothetical protein 0.0032 0.0393 0.0384
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0021 0.0124 0.5
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0021 0.0124 0.5
Schistosoma mansoni vesicular amine transporter 0.0032 0.0393 0.0281
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0032 0.0393 0.0281
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0932 0.2825
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0107 0.2338 0.2312
Brugia malayi Immunoglobulin I-set domain containing protein 0.0032 0.0393 0.0393
Loa Loa (eye worm) hypothetical protein 0.0038 0.056 0.0552
Onchocerca volvulus Transmembrane 9 superfamily member 4 homolog 0.0038 0.0541 0.2823
Trichomonas vaginalis STE family protein kinase 0.0076 0.155 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0021 0.0124 0.5
Echinococcus multilocularis serotonin receptor 0.0124 0.2777 0.2849
Schistosoma mansoni hypothetical protein 0.0038 0.056 0.0456
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0021 0.0124 0.5
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0101 0.218 0.5
Loa Loa (eye worm) hypothetical protein 0.0167 0.3898 0.3892
Loa Loa (eye worm) hypothetical protein 0.0032 0.0393 0.0384
Echinococcus granulosus twitchin 0.0044 0.0718 0.0722
Echinococcus multilocularis roundabout 2 0.0048 0.0809 0.0816
Loa Loa (eye worm) CYP4Cod1 0.0057 0.1035 0.1027
Loa Loa (eye worm) STE/STE7/MEK1 protein kinase 0.0076 0.155 0.1542
Echinococcus granulosus biogenic amine 5HT receptor 0.0124 0.2777 0.2849
Loa Loa (eye worm) hypothetical protein 0.0053 0.0941 0.0933
Echinococcus multilocularis lipoxygenase domain containing protein 0.0038 0.056 0.0559
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0089 0.187 0.187
Loa Loa (eye worm) hypothetical protein 0.0089 0.187 0.1863
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.0932 0.0924
Loa Loa (eye worm) hypothetical protein 0.0111 0.2441 0.2434
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0391 0.9699 1
Trypanosoma cruzi cytochrome P450, putative 0.0057 0.1035 0.6387
Echinococcus granulosus Niemann Pick C1 protein 0.0101 0.218 0.2232
Schistosoma mansoni loxhd1 0.0038 0.056 0.0456
Echinococcus granulosus dual specificity mitogen activated protein 0.0076 0.155 0.1581
Onchocerca volvulus 0.0038 0.056 0.2923
Toxoplasma gondii phospholipase/carboxylesterase 0.006 0.1124 1
Brugia malayi Cytochrome P450 family protein 0.0021 0.0124 0.0124
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.0932 0.0943
Brugia malayi hypothetical protein 0.0032 0.0393 0.0393
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0057 0.1035 1
Echinococcus multilocularis serotonin transporter 0.0089 0.187 0.1912
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0391 0.9699 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0089 0.187 0.1824
Echinococcus granulosus Polycystic kidney disease protein 0.0038 0.056 0.0559
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0021 0.0124 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0124 0.2777 0.2771
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.0932 0.5669
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0168 0.3923 0.4033
Schistosoma mansoni cell polarity protein 0.0052 0.0914 0.0825
Echinococcus granulosus roundabout 2 0.0048 0.0809 0.0816
Loa Loa (eye worm) hypothetical protein 0.0052 0.0914 0.0906
Brugia malayi Immunoglobulin I-set domain containing protein 0.0042 0.0658 0.0658
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0237 0.0793
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0391 0.9699 1
Schistosoma mansoni acyl-protein thioesterase 12 (lysophospholipase III) 0.006 0.1124 0.1044
Brugia malayi Doublecortin family protein 0.0038 0.056 0.056
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0237 0.1131
Schistosoma mansoni tyrosine kinase 0.0391 0.9699 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0168 0.3923 0.4033
Echinococcus granulosus expressed conserved protein 0.0095 0.2022 0.2069
Brugia malayi laminin alpha chain 0.0052 0.0914 0.0914
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.0932 0.5669
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0891 0.0891
Echinococcus granulosus defective proboscis extension response 0.0032 0.0393 0.0386
Brugia malayi cytochrome P450 0.0021 0.0124 0.0124
Echinococcus multilocularis RUN 0.0038 0.056 0.0559
Echinococcus multilocularis neurogenic locus notch protein 0.0052 0.0914 0.0924
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0021 0.0124 0.5
Echinococcus granulosus acyl protein thioesterase 12 0.006 0.1124 0.1141
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0021 0.0124 0.5
Wolbachia endosymbiont of Brugia malayi esterase 0.006 0.1124 0.5
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0021 0.0124 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0393 0.0384
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0032 0.0393 0.0386
Echinococcus granulosus acyl protein thioesterase 1 0.006 0.1124 0.1141
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.0932 0.5669
Echinococcus granulosus serotonin transporter 0.0089 0.187 0.1912
Loa Loa (eye worm) cytochrome P450 family protein 0.0057 0.1035 0.1027
Loa Loa (eye worm) abnormal epIthelia family member 0.0052 0.0914 0.0906
Plasmodium falciparum LCCL domain-containing protein 0.0038 0.056 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0101 0.218 0.2232
Mycobacterium leprae Conserved hypothetical protein 0.0021 0.0124 0.5
Echinococcus granulosus neurogenic locus notch protein 0.0052 0.0914 0.0924
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0021 0.0124 0.5
Loa Loa (eye worm) hypothetical protein 0.0089 0.187 0.1863
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0689 0.0692
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.2735 0.2729
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0021 0.0124 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.2735 0.2729
Trypanosoma cruzi lysophospholipase, putative 0.006 0.1124 0.7012
Loa Loa (eye worm) serotonin transporter b 0.0089 0.187 0.1863
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0021 0.0124 0.5
Loa Loa (eye worm) TK protein kinase 0.0402 1 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0038 0.056 0.0559
Echinococcus multilocularis dual specificity mitogen activated protein 0.0076 0.155 0.1581
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0042 0.0658 0.0649
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0021 0.0124 0.5
Echinococcus multilocularis serotonin receptor 0.0124 0.2777 0.2849
Loa Loa (eye worm) solute carrier family 6 member 4 0.0089 0.187 0.1863
Brugia malayi hypothetical protein 0.0038 0.056 0.056
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0089 0.187 0.1824
Loa Loa (eye worm) phospholipase/Carboxylesterase 0.006 0.1124 0.1116
Brugia malayi MH2 domain containing protein 0.0122 0.2735 0.2735
Chlamydia trachomatis lysophospholipase esterase 0.006 0.1124 0.5
Echinococcus multilocularis 0.0021 0.0124 0.0109
Schistosoma mansoni protein kinase 0.0076 0.155 0.1489
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0021 0.0124 0.5
Schistosoma mansoni acyl-protein thioesterase 12 (lysophospholipase III) 0.006 0.1124 0.1044
Echinococcus multilocularis acyl protein thioesterase 12 0.006 0.1124 0.1141
Trypanosoma cruzi lysophospholipase, putative 0.006 0.1124 0.7012
Loa Loa (eye worm) hypothetical protein 0.0052 0.0914 0.0906
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0689 0.0692
Schistosoma mansoni cell adhesion molecule 0.0036 0.0508 0.0401
Loa Loa (eye worm) hypothetical protein 0.0038 0.056 0.0552
Echinococcus granulosus fibroblast growth factor receptor 4 0.0391 0.9699 1
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0021 0.0124 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0891 0.0883
Loa Loa (eye worm) hypothetical protein 0.0048 0.0809 0.0801

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.19 uM Inhibition of Prostate specific antigen PSA (Serine Protease) ChEMBL. 11334560
IC50 (binding) = 2.19 uM Inhibition of Prostate specific antigen PSA (Serine Protease) ChEMBL. 11334560

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.