Detailed information for compound 333577

Basic information

Technical information
  • TDR Targets ID: 333577
  • Name: phenylmethanesulfonyl fluoride
  • MW: 174.193 | Formula: C7H7FO2S
  • H donors: 0 H acceptors: 2 LogP: 1.63 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: FS(=O)(=O)Cc1ccccc1
  • InChi: 1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
  • InChiKey: YBYRMVIVWMBXKQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Phenylmethylsulfonyl Fluoride
  • 329-98-6
  • 78830_FLUKA
  • 3-11-00-00331 (Beilstein Handbook Reference)
  • BRN 2088311
  • Benzylsulfonyl fluoride
  • Benzylsulphonyl fluoride
  • EINECS 206-350-2
  • NSC 88499
  • alpha-TOLUENESULFONYL FLUORIDE
  • alpha-Toluenesulphonyl fluoride
  • .alpha.-Toluenesulfonyl fluoride
  • NSC88499
  • Phenylmethanesulfonyl fluroide
  • WLN: WSF1R
  • 93482_FLUKA
  • Phenylmethanesulfonyl fluoride solution
  • Benzenemethanesulfonyl fluoride
  • C06747
  • PMSF
  • HSCI1_000354
  • NCI60_041962
  • P7626_SIGMA
  • CHEBI:8102
  • AIDS-043580
  • AIDS043580
  • NCIOpen2_001527

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Anandamide amidohydrolase Starlite/ChEMBL References
Homo sapiens protease, serine, 1 (trypsin 1) No references
Homo sapiens protease, serine, 3 Starlite/ChEMBL No references
Homo sapiens protease, serine, 2 (trypsin 2) No references
Homo sapiens proteinase 3 Starlite/ChEMBL References
Homo sapiens fatty acid amide hydrolase Starlite/ChEMBL References
Leishmania major pyroglutamyl-peptidase I (C15 family) Curated by TDR Targets References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana pyroglutamyl-peptidase I (PGP), putative,cysteine peptidase, Clan CF, family C15, putative Get druggable targets OG5_150045 All targets in OG5_150045
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
Echinococcus multilocularis fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Leishmania major pyroglutamyl-peptidase I (C15 family) Get druggable targets OG5_150045 All targets in OG5_150045
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Echinococcus granulosus fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Trypanosoma cruzi pyroglutamyl-peptidase I, putative Get druggable targets OG5_150045 All targets in OG5_150045
Schistosoma mansoni fatty-acid amide hydrolase Get druggable targets OG5_127783 All targets in OG5_127783
Leishmania donovani pyroglutamyl-peptidase I, putative Get druggable targets OG5_150045 All targets in OG5_150045
Trypanosoma brucei gambiense pyroglutamyl-peptidase I (PGP), putative,cysteine peptidase, Clan CF, family C15, putative Get druggable targets OG5_150045 All targets in OG5_150045
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Get druggable targets OG5_127783 All targets in OG5_127783
Trypanosoma cruzi Cysteine peptidase, Clan CF, family C15 Get druggable targets OG5_150045 All targets in OG5_150045
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Leishmania infantum pyroglutamyl-peptidase I (PGP), putative Get druggable targets OG5_150045 All targets in OG5_150045
Schistosoma mansoni amidase Get druggable targets OG5_127783 All targets in OG5_127783
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783
Brugia malayi Trypsin family protein Get druggable targets OG5_126639 All targets in OG5_126639
Trypanosoma brucei pyroglutamyl-peptidase I, putative Get druggable targets OG5_150045 All targets in OG5_150045
Echinococcus multilocularis fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Brugia malayi amidase Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
Echinococcus granulosus fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma japonicum ko:K01175 fatty acid amide hydrolase [EC:3.1.-.-], putative Get druggable targets OG5_127783 All targets in OG5_127783
Leishmania braziliensis pyroglutamyl-peptidase I (PGP), putative Get druggable targets OG5_150045 All targets in OG5_150045
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Trypsin family protein protease, serine, 1 (trypsin 1) 247 aa 287 aa 21.6 %
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Anandamide amidohydrolase   579 aa 499 aa 24.6 %
Echinococcus multilocularis fatty acid amide hydrolase 1 Anandamide amidohydrolase   579 aa 470 aa 28.3 %
Schistosoma mansoni cercarial elastase (S01 family) protease, serine, 3 261 aa 234 aa 25.2 %
Brugia malayi Trypsin family protein proteinase 3 256 aa 216 aa 22.2 %
Schistosoma mansoni cercarial elastase (S01 family) protease, serine, 2 (trypsin 2) 247 aa 240 aa 25.8 %
Onchocerca volvulus Anandamide amidohydrolase   579 aa 539 aa 34.7 %
Echinococcus granulosus fatty acid amide hydrolase 1 Anandamide amidohydrolase   579 aa 470 aa 28.7 %
Leishmania major hypothetical protein, conserved fatty acid amide hydrolase 579 aa 471 aa 26.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Echinococcus granulosus biogenic amine 5HT receptor 0.0211 0.0148 0.8274
Echinococcus granulosus sex peptide receptor 0.0211 0.0148 0.8274
Echinococcus multilocularis rhodopsin orphan GPCR 0.0211 0.0148 0.8274
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0211 0.0148 0.8274
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Mycobacterium ulcerans thymidylate synthase 0.0227 0.0162 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0211 0.0148 0.0143
Echinococcus multilocularis dihydrofolate reductase 0.0093 0.0048 0.2518
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0211 0.0148 0.5458
Echinococcus granulosus g protein coupled receptor 0.0211 0.0148 0.8274
Schistosoma mansoni hypothetical protein 0.0211 0.0148 0.5458
Echinococcus granulosus hypothetical protein 0.0211 0.0148 0.8274
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Echinococcus granulosus neuropeptides capa receptor 0.0211 0.0148 0.8274
Brugia malayi hypothetical protein 0.0211 0.0148 0.0143
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Brugia malayi Dopamine receptor protein 1 0.0211 0.0148 0.0143
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0211 0.0148 0.8274
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0211 0.0148 0.8274
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0211 0.0148 0.0143
Schistosoma mansoni dihydrofolate reductase 0.0093 0.0048 0.1575
Echinococcus granulosus rhodopsin orphan GPCR 0.0211 0.0148 0.8274
Echinococcus multilocularis g protein coupled receptor 0.0211 0.0148 0.8274
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Schistosoma mansoni biogenic amine receptor 0.0211 0.0148 0.5458
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0211 0.0148 0.5458
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0211 0.0148 0.8274
Echinococcus granulosus rhodopsin orphan GPCR 0.0211 0.0148 0.8274
Echinococcus granulosus 7TM GPCR rhodopsin 0.0211 0.0148 0.8274
Brugia malayi hypothetical protein 0.0108 0.0061 0.0057
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Echinococcus multilocularis rhodopsin orphan GPCR 0.0211 0.0148 0.8274
Brugia malayi G protein-coupled receptor 0.0211 0.0148 0.0143
Schistosoma mansoni histamine h1 receptor 0.0211 0.0148 0.5458
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0211 0.0148 0.0148
Echinococcus multilocularis allatostatin A receptor 0.0211 0.0148 0.8274
Brugia malayi follicle stimulating hormone receptor 0.0211 0.0148 0.0143
Echinococcus granulosus rhodopsin orphan GPCR 0.0211 0.0148 0.8274
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.032 0.024 0.5
Loa Loa (eye worm) thymidylate synthase 0.0227 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Echinococcus multilocularis rhodopsin orphan GPCR 0.0211 0.0148 0.8274
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0211 0.0148 0.8274
Brugia malayi sulfakinin receptor protein 1.1884 1 1
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Echinococcus granulosus neuropeptide receptor 0.0211 0.0148 0.8274
Loa Loa (eye worm) hypothetical protein 1.1884 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0211 0.0148 0.8274
Brugia malayi hypothetical protein 0.0211 0.0148 0.0143
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0211 0.0148 0.5458
Echinococcus multilocularis rhodopsin orphan GPCR 0.0211 0.0148 0.8274
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Schistosoma mansoni neuropeptide receptor 0.0211 0.0148 0.5458
Schistosoma mansoni neuropeptide receptor 0.0211 0.0148 0.5458
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0041 0.0005 0.0005
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0211 0.0148 0.5458
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0211 0.0148 0.5458
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0211 0.0148 0.8274
Brugia malayi G-protein coupled receptor 0.0211 0.0148 0.0143
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0211 0.0148 0.8274
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0211 0.0148 0.8274
Echinococcus granulosus fatty acid amide hydrolase 1 0.0246 0.0178 1
Loa Loa (eye worm) G-protein coupled receptor 0.0211 0.0148 0.0148
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0227 0.0162 1
Brugia malayi Dopamine receptor protein 2 0.0211 0.0148 0.0143
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Loa Loa (eye worm) melatonin receptor type 1A 0.0211 0.0148 0.0148
Echinococcus granulosus neuropeptide s receptor 0.0211 0.0148 0.8274
Echinococcus multilocularis g protein coupled receptor 0.0211 0.0148 0.8274
Loa Loa (eye worm) hypothetical protein 0.0349 0.0264 0.0264
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0211 0.0148 0.5458
Schistosoma mansoni fatty-acid amide hydrolase 0.0246 0.0178 0.6623
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Echinococcus granulosus tm gpcr rhodopsin 0.0211 0.0148 0.8274
Schistosoma mansoni adenoreceptor 0.0211 0.0148 0.5458
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Schistosoma mansoni alpha-1 adrenergic receptor 0.0211 0.0148 0.5458
Echinococcus multilocularis neuropeptide receptor 0.0211 0.0148 0.8274
Echinococcus multilocularis orexin receptor type 2 0.0211 0.0148 0.8274
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Echinococcus granulosus serotonin receptor 0.0211 0.0148 0.8274
Brugia malayi Tachykinin-like peptides receptor 99D 0.0211 0.0148 0.0143
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0211 0.0148 0.8274
Echinococcus granulosus rhodopsin orphan GPCR 0.0211 0.0148 0.8274
Echinococcus granulosus neuropeptide Y receptor 0.0211 0.0148 0.8274
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0211 0.0148 0.8274
Echinococcus granulosus g protein coupled receptor 0.0211 0.0148 0.8274
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Echinococcus granulosus G protein coupled receptor 139 0.0211 0.0148 0.8274
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.032 0.024 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0211 0.0148 0.5458
Echinococcus granulosus tm gpcr rhodopsin 0.0211 0.0148 0.8274
Echinococcus multilocularis g-protein coupled receptor 0.0211 0.0148 0.8274
Schistosoma mansoni opsin-like receptor 0.0211 0.0148 0.5458
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0211 0.0148 0.5458
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0211 0.0148 0.5458
Echinococcus granulosus dro:myosuppressin receptor 0.0211 0.0148 0.8274
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Echinococcus multilocularis neuropeptide s receptor 0.0211 0.0148 0.8274
Schistosoma mansoni hypothetical protein 0.0211 0.0148 0.5458
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Echinococcus multilocularis neuropeptide receptor 0.0211 0.0148 0.8274
Brugia malayi hypothetical protein 0.0211 0.0148 0.0143
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Loa Loa (eye worm) TYRA-2 protein 0.0211 0.0148 0.0148
Brugia malayi dihydrofolate reductase family protein 0.0093 0.0048 0.0044
Brugia malayi Trypsin family protein 0.0349 0.0264 0.026
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0211 0.0148 0.5458
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0211 0.0148 0.0148
Echinococcus multilocularis neuropeptides capa receptor 0.0211 0.0148 0.8274
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0349 0.0264 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0211 0.0148 0.5458
Echinococcus granulosus somatostatin receptor 0.0211 0.0148 0.8274
Echinococcus multilocularis g protein coupled receptor 0.0211 0.0148 0.8274
Echinococcus granulosus rhodopsin orphan GPCR 0.0211 0.0148 0.8274
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0246 0.0178 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0211 0.0148 0.8274
Schistosoma mansoni neuropeptide receptor 0.0211 0.0148 0.5458
Echinococcus granulosus alpha 1A adrenergic receptor 0.0211 0.0148 0.8274
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Echinococcus granulosus orexin receptor type 2 0.0211 0.0148 0.8274
Schistosoma mansoni biogenic amine (5HT) receptor 0.0211 0.0148 0.5458
Schistosoma mansoni neuropeptide F-like receptor 0.0211 0.0148 0.5458
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0211 0.0148 0.0143
Onchocerca volvulus 0.0349 0.0264 1
Brugia malayi putative neuropeptide receptor NPR1 0.0211 0.0148 0.0143
Echinococcus granulosus peptide allatostatin:somatostatin 0.0211 0.0148 0.8274
Echinococcus multilocularis dro:myosuppressin receptor 0.0211 0.0148 0.8274
Loa Loa (eye worm) hypothetical protein 0.0349 0.0264 0.0264
Echinococcus multilocularis rhodopsin orphan GPCR 0.0211 0.0148 0.8274
Schistosoma mansoni amine GPCR 0.0211 0.0148 0.5458
Schistosoma mansoni amine GPCR 0.0211 0.0148 0.5458
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0211 0.0148 0.5458
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Echinococcus granulosus neuropeptide Y receptor 0.0211 0.0148 0.8274
Echinococcus multilocularis fmrfamide receptor 0.0211 0.0148 0.8274
Schistosoma mansoni biogenic amine receptor 0.0211 0.0148 0.5458
Echinococcus granulosus biogenic amine 5HT receptor 0.0211 0.0148 0.8274
Echinococcus granulosus neuropeptide FF receptor 2 0.0211 0.0148 0.8274
Brugia malayi hypothetical protein 0.0211 0.0148 0.0143
Onchocerca volvulus 0.0319 0.0239 0.785
Brugia malayi hypothetical protein 0.0211 0.0148 0.0143
Loa Loa (eye worm) G-protein coupled receptor 0.0211 0.0148 0.0148
Echinococcus multilocularis neuropeptide receptor A26 0.0211 0.0148 0.8274
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Trypanosoma cruzi pyroglutamyl-peptidase I, putative 0.0519 0.0408 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0211 0.0148 0.5458
Onchocerca volvulus 0.0227 0.0162 0.1209
Echinococcus multilocularis G protein coupled receptor 139 0.0211 0.0148 0.8274
Echinococcus granulosus tachykinin peptides receptor 99D 0.0211 0.0148 0.8274
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0211 0.0148 0.5458
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0227 0.0162 1
Echinococcus granulosus tm gpcr rhodopsin 0.0211 0.0148 0.8274
Brugia malayi hypothetical protein 0.0211 0.0148 0.0143
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0227 0.0162 0.6008
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Brugia malayi Dopamine receptor 0.0211 0.0148 0.0143
Echinococcus multilocularis rhodopsin orphan GPCR 0.0211 0.0148 0.8274
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0211 0.0148 0.5458
Brugia malayi Serotonin receptor 0.0211 0.0148 0.0143
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0211 0.0148 0.5458
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0211 0.0148 0.0143
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0211 0.0148 0.0143
Brugia malayi ORL1-like opioid receptor 0.0211 0.0148 0.0143
Loa Loa (eye worm) hypothetical protein 0.0246 0.0178 0.0178
Loa Loa (eye worm) neuropeptide F receptor 0.0211 0.0148 0.0148
Loa Loa (eye worm) neuropeptide F receptor 0.0211 0.0148 0.0148
Echinococcus granulosus rhodopsin orphan GPCR 0.0211 0.0148 0.8274
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Schistosoma mansoni myosin xvIII 0.0211 0.0148 0.5458
Echinococcus granulosus allatostatin A receptor 0.0211 0.0148 0.8274
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0211 0.0148 0.5458
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0211 0.0148 0.8274
Echinococcus granulosus g protein coupled receptor 0.0211 0.0148 0.8274
Echinococcus multilocularis thymidylate synthase 0.0227 0.0162 0.9088
Brugia malayi G-protein coupled receptor 0.0211 0.0148 0.0143
Echinococcus multilocularis serotonin receptor 0.0211 0.0148 0.8274
Echinococcus granulosus neuropeptide receptor 0.0211 0.0148 0.8274
Brugia malayi larval opioid receptor 0.0211 0.0148 0.0143
Echinococcus granulosus fatty acid amide hydrolase 1 0.0246 0.0178 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.032 0.024 0.5163
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0211 0.0148 0.8274
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0211 0.0148 0.8274
Brugia malayi RE15519p 0.0211 0.0148 0.0143
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Echinococcus multilocularis rhodopsin orphan GPCR 0.0211 0.0148 0.8274
Echinococcus granulosus dihydrofolate reductase 0.0093 0.0048 0.2518
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Brugia malayi thymidylate synthase 0.0227 0.0162 0.0157
Echinococcus multilocularis neuropeptide FF receptor 2 0.0211 0.0148 0.8274
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0246 0.0178 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0211 0.0148 0.5458
Trypanosoma brucei pyroglutamyl-peptidase I, putative 0.0519 0.0408 1
Echinococcus multilocularis neuropeptide Y receptor 0.0211 0.0148 0.8274
Trypanosoma cruzi Cysteine peptidase, Clan CF, family C15 0.0519 0.0408 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0211 0.0148 0.5458
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0211 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Echinococcus multilocularis G-protein coupled receptor, putative 0.0211 0.0148 0.8274
Brugia malayi Dihydrofolate reductase 0.0093 0.0048 0.0044
Brugia malayi putative neuropeptide receptor 0.0211 0.0148 0.0143
Brugia malayi neuropeptide F receptor 0.0211 0.0148 0.0143
Echinococcus granulosus rhodopsin orphan GPCR 0.0211 0.0148 0.8274
Schistosoma mansoni hypothetical protein 0.0211 0.0148 0.5458
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0211 0.0148 0.5458
Schistosoma mansoni hypothetical protein 0.0211 0.0148 0.5458
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.0061 1
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0211 0.0148 0.8274
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Schistosoma mansoni biogenic amine (5HT) receptor 0.0211 0.0148 0.5458
Brugia malayi hypothetical protein 0.0211 0.0148 0.0143
Brugia malayi Melatonin receptor type 1A 0.0211 0.0148 0.0143
Brugia malayi hypothetical protein 0.0211 0.0148 0.0143
Schistosoma mansoni amine GPCR 0.0211 0.0148 0.5458
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0211 0.0148 0.5458
Schistosoma mansoni biogenic amine receptor 0.0211 0.0148 0.5458
Schistosoma mansoni amine GPCR 0.0211 0.0148 0.5458
Echinococcus multilocularis fmrfamide receptor 0.0211 0.0148 0.8274
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.032 0.024 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0211 0.0148 0.8274
Echinococcus granulosus neuropeptides capa receptor 0.0211 0.0148 0.8274
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0211 0.0148 0.8274
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0211 0.0148 0.8274
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Brugia malayi Serotonin receptor 0.0211 0.0148 0.0143
Brugia malayi amidase 0.0246 0.0178 0.0173
Echinococcus granulosus fmrfamide receptor 0.0211 0.0148 0.8274
Schistosoma mansoni neuropeptide receptor 0.0211 0.0148 0.5458
Echinococcus granulosus g-protein coupled receptor 0.0211 0.0148 0.8274
Schistosoma mansoni opsin-like receptor 0.0211 0.0148 0.5458
Schistosoma mansoni amidase 0.0246 0.0178 0.6623
Mycobacterium tuberculosis Hypothetical protein 0.0108 0.0061 0.1148
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0349 0.0264 1
Echinococcus multilocularis serotonin receptor 0.0211 0.0148 0.8274
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Echinococcus multilocularis rhodopsin orphan GPCR 0.0211 0.0148 0.8274
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0211 0.0148 0.0148
Brugia malayi neuropeptide F receptor 0.0211 0.0148 0.0143
Echinococcus granulosus neuropeptide receptor A26 0.0211 0.0148 0.8274
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0211 0.0148 0.5458
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0211 0.0148 0.8274
Echinococcus granulosus thymidylate synthase 0.0227 0.0162 0.9088
Schistosoma mansoni amine GPCR 0.0211 0.0148 0.5458
Schistosoma mansoni neuropeptide F-like receptor 0.0211 0.0148 0.5458
Echinococcus multilocularis neuropeptides capa receptor 0.0211 0.0148 0.8274
Leishmania major pyroglutamyl-peptidase I (C15 family) 0.0519 0.0408 1
Loa Loa (eye worm) dihydrofolate reductase 0.0093 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0211 0.0148 0.5458
Brugia malayi AKH receptor 0.0211 0.0148 0.0143
Chlamydia trachomatis dihydrofolate reductase 0.0093 0.0048 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0211 0.0148 0.8274
Echinococcus multilocularis sex peptide receptor 0.0211 0.0148 0.8274
Loa Loa (eye worm) hypothetical protein 0.0211 0.0148 0.0148
Brugia malayi hypothetical protein 0.0211 0.0148 0.0143
Echinococcus multilocularis somatostatin receptor 0.0211 0.0148 0.8274
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0211 0.0148 0.0148
Brugia malayi GnHR receptor homolog 0.0211 0.0148 0.0143
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0211 0.0148 0.5458
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0211 0.0148 0.0143
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0211 0.0148 0.8274
Schistosoma mansoni opsin-like receptor 0.0211 0.0148 0.5458

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -6.313 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) = 0.11 mM Inhibition of trypsin (unknown origin) using BApNA as substrate incubated for 15 min prior to substrate addition measured after 30 min by UV/VIS spectrophotometric analysis ChEMBL. No reference
IC50 (binding) = 833 nM Inhibition of rat histidine tagged FAAH expressed in Escherichia coli by coumarin ester substrate fluorescence assay ChEMBL. 22738638
IC50 (binding) = 52161.7 nM Inhibition of human leukocyte elastase after 2 mins by ELISA ChEMBL. 20417587
IC50 (binding) = 95219.3 nM Inhibition of human neutrophil elastase after 30 mins by ELISA ChEMBL. 20417587
IC50 (binding) = 13 uM Irreversible inhibition of fatty acid amide hydrolase ChEMBL. 16078824
IC50 (binding) = 13 uM Irreversible inhibition of fatty acid amide hydrolase ChEMBL. 16078824
IC50 (binding) = 19.23 uM Inhibition of human PR3 using D-DY-FRET as substrate after 30 mins by HPLC analysis ChEMBL. 25365140
IC50 (functional) = 35.68 uM Antiinflammatory activity in human neutrophils assessed as inhibition of fMet-Leu-Phe/Cytochalasin B-induced elastase release at 10 ug/mL ChEMBL. 18163582
IC50 (functional) = 130.93 uM Antiinflammatory activity in neutorphil assessed as inhibition of fMLP induced elastase release ChEMBL. 17197180
IC50 (functional) = 204.08 uM Antiinflammatory activity in human neutrophils assessed as inhibition of formyl-L-methionyl-L-leucyl-L-phenylalanine/cytochalasin B-induced elastase release ChEMBL. 18211005
Inhibition (binding) Inhibition of mouse DAGLalpha expressed in HEK293T cell membrane using [14C]SAG substrate at 10 nM by scintillation counting based radio-TLC assay ChEMBL. 22738638
Inhibition (binding) = 5 % Inhibition of human N-terminal histidine tagged full length MAGL expressed in Escherichia coli at 10 uM by by coumarin ester substrate fluorescence assay ChEMBL. 22738638
Inhibition (binding) = 8 % Inhibition of human DAGLalpha expressed in HEK293T cell membrane using [14C]SAG substrate at 10 uM using JZL184 pretreated protein in detergent free solution by FRET assay ChEMBL. 22738638
Inhibition (binding) = 19 % Inhibition of human DAGLalpha expressed in HEK293T cell membrane using [14C]SAG substrate at 10 uM in detergent free solution by scintillation counting based radio-TLC assay ChEMBL. 22738638
Inhibition (binding) = 20 % Inhibition of human PR3 using N-EY-FRET as substrate at 6 uM after 20 mins by fluorescence assay ChEMBL. 25365140
Inhibition (binding) = 20 % Inhibition of human NE using MeOSuc-AAPV-AMC as substrate at 6 uM after 30 mins by fluorescence assay ChEMBL. 25365140
Inhibition (binding) = 87.4 % Inhibition of trypsin (unknown origin) using BApNA as substrate at 2 mg/ml incubated for 15 min prior to substrate addition measured after 30 min by UV/VIS spectrophotometric analysis ChEMBL. No reference
Inhibition (binding) = 100 % Inhibition of rat histidine tagged FAAH expressed in Escherichia coli at 10 uM by coumarin ester substrate fluorescence assay ChEMBL. 22738638
Ki (binding) = 10.01 uM Competitive inhibition of trypsin (unknown origin) using N-succinyl-phenylalanine-p-nitroanilide as substrate incubated for 20 mins prior to substrate addition by Dixon plot/ Lineweaver-Burk plot analysis ChEMBL. No reference
LD50 (functional) = 27.98 uM Antimicrobial activity against Toxoplasma gondii RH tachyzoites assessed as inhibition of parasite invasion of african green monkey Vero cells pretreated for 1 hr before cell infection measured 24 to 48 hrs post infection ChEMBL. 20441162
T1/2 (ADMET) = 52 hr Half life in mouse brain ChEMBL. 18983142

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:

Affected Entity Phenotypic quality Occurs in Occurs at Evidence Observed in Targets
catalytic activity (GO:0003824) decreased (PATO:0000468) in vitro (MI:0492) inferred from structural similarity (ECO:0000027) Leishmania major 23720  
Annotator: aaronjr@u.washington.edu Comment: Drug: 26305-03-3. chemical inhibition with known cysteine peptidase inhibitors leads to reduced enzyme activity in vitro; References: 17028008
catalytic activity (GO:0003824) decreased (PATO:0000468) in vitro (MI:0492) inferred from specific protein inhibition (ECO:0000020) Leishmania major 23720  
Annotator: aaronjr@u.washington.edu Comment: Drug: 26305-03-3. chemical inhibition with known cysteine peptidase inhibitors leads to reduced enzyme activity in vitro; References: 17028008

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

26 literature references were collected for this gene.

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