Detailed information for compound 1388103

Basic information

Technical information
  • TDR Targets ID: 1388103
  • Name: N-cyclohexyl-2-[[5-[(2-thiophen-2-ylacetyl)am ino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
  • MW: 396.551 | Formula: C16H20N4O2S3
  • H donors: 2 H acceptors: 4 LogP: 3.19 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC1CCCCC1)CSc1nnc(s1)NC(=O)Cc1cccs1
  • InChi: 1S/C16H20N4O2S3/c21-13(9-12-7-4-8-23-12)18-15-19-20-16(25-15)24-10-14(22)17-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,17,22)(H,18,19,21)
  • InChiKey: PZVFOSIQWUGOJG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-cyclohexyl-2-[[5-[[2-(2-thienyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
  • N-cyclohexyl-2-[[5-[[1-oxo-2-(2-thienyl)ethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetamide
  • N-cyclohexyl-2-[[5-[[2-(2-thienyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetamide
  • N-cyclohexyl-2-[[5-(2-thiophen-2-ylethanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide
  • MLS000032680
  • N-(5-Cyclohexylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-2-thiophen-2-yl-acetamide
  • SMR000006597
  • ASN 06398753
  • ZINC04400195

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni opsin-like receptor 0.004 0.5305 0.5305
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.004 0.5305 0.5305
Echinococcus granulosus rhodopsin orphan GPCR 0.004 0.5305 0.5305
Echinococcus multilocularis G protein coupled receptor 139 0.004 0.5305 0.5305
Schistosoma mansoni amine GPCR 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Onchocerca volvulus 0.004 0.5305 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.004 0.5305 0.5305
Brugia malayi hypothetical protein 0.004 0.5305 0.5305
Schistosoma mansoni rhodopsin-like orphan GPCR 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Schistosoma mansoni neuropeptide receptor 0.004 0.5305 0.5305
Echinococcus multilocularis neuropeptide s receptor 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.004 0.5305 0.5305
Echinococcus multilocularis neuropeptide Y receptor 0.004 0.5305 0.5305
Echinococcus multilocularis tachykinin peptides receptor 99D 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.004 0.5305 0.5305
Brugia malayi G protein-coupled receptor F59B2.13 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Schistosoma mansoni amine GPCR 0.004 0.5305 0.5305
Brugia malayi hypothetical protein 0.004 0.5305 0.5305
Schistosoma mansoni neuropeptide receptor 0.004 0.5305 0.5305
Echinococcus granulosus somatostatin receptor 0.004 0.5305 0.5305
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.004 0.5305 0.5305
Echinococcus granulosus rhodopsin orphan GPCR 0.004 0.5305 0.5305
Brugia malayi gonadotropin-releasing hormone receptor 2 0.004 0.5305 0.5305
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.004 0.5305 0.5305
Schistosoma mansoni DNA polymerase eta 0.0054 0.9633 0.9633
Loa Loa (eye worm) neuropeptide F receptor 0.004 0.5305 0.5305
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.004 0.5305 0.5305
Echinococcus multilocularis dro:myosuppressin receptor 0.004 0.5305 0.5305
Echinococcus granulosus neuropeptides capa receptor 0.004 0.5305 0.5305
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.004 0.5305 0.5305
Echinococcus granulosus g-protein coupled receptor 0.004 0.5305 0.5305
Echinococcus multilocularis serotonin receptor 0.004 0.5305 0.5305
Onchocerca volvulus 0.004 0.5305 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Schistosoma mansoni rhodopsin-like orphan GPCR 0.004 0.5305 0.5305
Echinococcus granulosus thyrotropin releasing hormone receptor 0.004 0.5305 0.5305
Echinococcus granulosus tm gpcr rhodopsin 0.004 0.5305 0.5305
Echinococcus granulosus biogenic amine 5HT receptor 0.004 0.5305 0.5305
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.004 0.5305 0.5305
Echinococcus multilocularis fmrfamide receptor 0.004 0.5305 0.5305
Brugia malayi Serotonin receptor 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.9633 1
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Onchocerca volvulus 0.004 0.5305 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.004 0.5305 0.5305
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.004 0.5305 0.5305
Echinococcus granulosus fmrfamide receptor 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Schistosoma mansoni amine GPCR 0.004 0.5305 0.5305
Schistosoma mansoni biogenic amine receptor 0.004 0.5305 0.5305
Schistosoma mansoni neuropeptide F-like receptor 0.004 0.5305 0.5305
Echinococcus granulosus rhodopsin orphan GPCR 0.004 0.5305 0.5305
Loa Loa (eye worm) follicle stimulating hormone receptor 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Schistosoma mansoni rhodopsin-like orphan GPCR 0.004 0.5305 0.5305
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.004 0.5305 0.5305
Brugia malayi hypothetical protein 0.004 0.5305 0.5305
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Schistosoma mansoni biogenic amine receptor 0.004 0.5305 0.5305
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.004 0.5305 0.5305
Leishmania major DNA polymerase eta, putative 0.0038 0.46 0.4775
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Schistosoma mansoni hypothetical protein 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Echinococcus multilocularis g protein coupled receptor 0.004 0.5305 0.5305
Schistosoma mansoni rhodopsin-like orphan GPCR 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Schistosoma mansoni rhodopsin-like orphan GPCR 0.004 0.5305 0.5305
Echinococcus multilocularis alpha 1A adrenergic receptor 0.004 0.5305 0.5305
Brugia malayi Dopamine receptor protein 1 0.004 0.5305 0.5305
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.004 0.5305 0.5305
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.004 0.5305 0.5305
Onchocerca volvulus 0.004 0.5305 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Brugia malayi larval opioid receptor 0.004 0.5305 0.5305
Echinococcus multilocularis neuropeptide receptor A26 0.004 0.5305 0.5305
Echinococcus multilocularis somatostatin receptor 0.004 0.5305 0.5305
Onchocerca volvulus 0.004 0.5305 0.5
Echinococcus granulosus allatostatin A receptor 0.004 0.5305 0.5305
Schistosoma mansoni amine GPCR 0.004 0.5305 0.5305
Loa Loa (eye worm) neuropeptide F receptor 0.004 0.5305 0.5305
Onchocerca volvulus 0.004 0.5305 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Echinococcus multilocularis rhodopsin orphan GPCR 0.004 0.5305 0.5305
Echinococcus granulosus tm gpcr rhodopsin 0.004 0.5305 0.5305
Echinococcus multilocularis dna polymerase eta 0.0054 0.9633 0.9633
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.004 0.5305 0.5305
Brugia malayi Serotonin receptor 0.004 0.5305 0.5305
Echinococcus granulosus hypothetical protein 0.004 0.5305 0.5305
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.004 0.5305 0.5305
Schistosoma mansoni biogenic amine (dopamine) receptor 0.004 0.5305 0.5305
Schistosoma mansoni opsin-like receptor 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Onchocerca volvulus 0.004 0.5305 0.5
Brugia malayi sulfakinin receptor protein 0.004 0.5305 0.5305
Echinococcus granulosus 7TM GPCR rhodopsin 0.004 0.5305 0.5305
Brugia malayi hypothetical protein 0.004 0.5305 0.5305
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0 0.5
Schistosoma mansoni opsin-like receptor 0.004 0.5305 0.5305
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.004 0.5305 0.5305
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.004 0.5305 0.5305
Echinococcus multilocularis neuropeptide FF receptor 2 0.004 0.5305 0.5305
Onchocerca volvulus Neuropeptide F receptor homolog 0.004 0.5305 0.5
Schistosoma mansoni neuropeptide receptor 0.004 0.5305 0.5305
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.004 0.5305 0.5305
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.004 0.5305 0.5305
Echinococcus granulosus neuropeptide Y receptor 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Schistosoma mansoni neuropeptide f receptor 76f 0.004 0.5305 0.5305
Echinococcus granulosus orexin receptor type 2 0.004 0.5305 0.5305
Echinococcus granulosus dro:myosuppressin receptor 0.004 0.5305 0.5305
Onchocerca volvulus 0.004 0.5305 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.9633 0.9633
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.004 0.5305 0.5305
Schistosoma mansoni hypothetical protein 0.004 0.5305 0.5305
Echinococcus granulosus tachykinin peptides receptor 99D 0.004 0.5305 0.5305
Echinococcus multilocularis rhodopsin orphan GPCR 0.004 0.5305 0.5305
Echinococcus multilocularis rhodopsin orphan GPCR 0.004 0.5305 0.5305
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.004 0.5305 0.5305
Echinococcus multilocularis rhodopsin orphan GPCR 0.004 0.5305 0.5305
Echinococcus granulosus neuropeptide FF receptor 2 0.004 0.5305 0.5305
Onchocerca volvulus 0.004 0.5305 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.004 0.5305 0.5305
Echinococcus granulosus dna polymerase eta 0.0054 0.9633 0.9633
Brugia malayi hypothetical protein 0.004 0.5305 0.5305
Brugia malayi G protein-coupled receptor 0.004 0.5305 0.5305
Brugia malayi GnHR receptor homolog 0.004 0.5305 0.5305
Schistosoma mansoni adenoreceptor 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Onchocerca volvulus 0.004 0.5305 0.5
Echinococcus granulosus neuropeptide s receptor 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Echinococcus granulosus g protein coupled receptor 0.004 0.5305 0.5305
Schistosoma mansoni peptide (allatostatin)-like receptor 0.004 0.5305 0.5305
Schistosoma mansoni biogenic amine receptor 0.004 0.5305 0.5305
Echinococcus granulosus rhodopsin orphan GPCR 0.004 0.5305 0.5305
Brugia malayi hypothetical protein 0.004 0.5305 0.5305
Echinococcus granulosus serotonin receptor 0.004 0.5305 0.5305
Echinococcus multilocularis g protein coupled receptor 0.004 0.5305 0.5305
Brugia malayi putative neuropeptide receptor NPR1 0.004 0.5305 0.5305
Echinococcus granulosus g protein coupled receptor 0.004 0.5305 0.5305
Brugia malayi RE15519p 0.004 0.5305 0.5305
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Echinococcus multilocularis rhodopsin orphan GPCR 0.004 0.5305 0.5305
Onchocerca volvulus 0.004 0.5305 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.004 0.5305 0.5305
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Onchocerca volvulus 0.004 0.5305 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.9633 0.9633
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.004 0.5305 0.5305
Giardia lamblia DINP protein human, muc B family 0.0023 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.9633 1
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Schistosoma mansoni rhodopsin-like orphan GPCR 0.004 0.5305 0.5305
Echinococcus multilocularis fmrfamide receptor 0.004 0.5305 0.5305
Schistosoma mansoni biogenic amine (dopamine) receptor 0.004 0.5305 0.5305
Loa Loa (eye worm) G-protein coupled receptor 0.004 0.5305 0.5305
Schistosoma mansoni biogenic amine (5HT) receptor 0.004 0.5305 0.5305
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.004 0.5305 0.5305
Echinococcus granulosus sex peptide receptor 0.004 0.5305 0.5305
Schistosoma mansoni histamine h1 receptor 0.004 0.5305 0.5305
Brugia malayi Serotonin/octopamine receptor family protein 7 0.004 0.5305 0.5305
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.004 0.5305 0.5305
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.004 0.5305 0.5305
Echinococcus multilocularis g protein coupled receptor 0.004 0.5305 0.5305
Brugia malayi Dopamine receptor protein 2 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Brugia malayi hypothetical protein 0.004 0.5305 0.5305
Onchocerca volvulus 0.004 0.5305 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Onchocerca volvulus 0.004 0.5305 0.5
Schistosoma mansoni neuropeptide receptor 0.004 0.5305 0.5305
Echinococcus multilocularis rhodopsin orphan GPCR 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Brugia malayi G-protein coupled receptor 0.004 0.5305 0.5305
Brugia malayi putative neuropeptide receptor 0.004 0.5305 0.5305
Schistosoma mansoni hypothetical protein 0.004 0.5305 0.5305
Schistosoma mansoni neuropeptide F-like receptor 0.004 0.5305 0.5305
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.46 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.004 0.5305 0.5305
Onchocerca volvulus 0.004 0.5305 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.004 0.5305 0.5305
Schistosoma mansoni myosin xvIII 0.004 0.5305 0.5305
Brugia malayi hypothetical protein 0.004 0.5305 0.5305
Brugia malayi AKH receptor 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.004 0.5305 0.5305
Echinococcus multilocularis g-protein coupled receptor 0.004 0.5305 0.5305
Schistosoma mansoni alpha-1 adrenergic receptor 0.004 0.5305 0.5305
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.004 0.5305 0.5305
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.004 0.5305 0.5305
Echinococcus granulosus peptide allatostatin:somatostatin 0.004 0.5305 0.5305
Echinococcus granulosus neuropeptide receptor 0.004 0.5305 0.5305
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.46 0.4775
Echinococcus multilocularis allatostatin A receptor 0.004 0.5305 0.5305
Echinococcus multilocularis G-protein coupled receptor, putative 0.004 0.5305 0.5305
Echinococcus granulosus neuropeptide Y receptor 0.004 0.5305 0.5305
Echinococcus multilocularis orexin receptor type 2 0.004 0.5305 0.5305
Leishmania major DNA polymerase eta, putative 0.0054 0.9633 1
Brugia malayi Dopamine receptor 0.004 0.5305 0.5305
Echinococcus granulosus G protein coupled receptor 139 0.004 0.5305 0.5305
Echinococcus multilocularis neuropeptide receptor 0.004 0.5305 0.5305
Brugia malayi neuropeptide F receptor 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Echinococcus granulosus neuropeptide receptor A26 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.004 0.5305 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.004 0.5305 0.5305
Onchocerca volvulus 0.004 0.5305 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.004 0.5305 0.5305
Echinococcus granulosus rhodopsin orphan GPCR 0.004 0.5305 0.5305
Onchocerca volvulus 0.004 0.5305 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.004 0.5305 0.5305
Brugia malayi G-protein coupled receptor 0.004 0.5305 0.5305
Schistosoma mansoni amine GPCR 0.004 0.5305 0.5305
Brugia malayi ORL1-like opioid receptor 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Schistosoma mansoni growth hormone secretagogue receptor 0.004 0.5305 0.5305
Brugia malayi follicle stimulating hormone receptor 0.004 0.5305 0.5305
Schistosoma mansoni biogenic amine (dopamine) receptor 0.004 0.5305 0.5305
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.004 0.5305 0.5305
Echinococcus multilocularis neuropeptides capa receptor 0.004 0.5305 0.5305
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Schistosoma mansoni biogenic amine (5HT) receptor 0.004 0.5305 0.5305
Echinococcus granulosus biogenic amine 5HT receptor 0.004 0.5305 0.5305
Brugia malayi neuropeptide F receptor 0.004 0.5305 0.5305
Brugia malayi hypothetical protein 0.004 0.5305 0.5305
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.004 0.5305 0.5305
Echinococcus granulosus neuropeptide receptor 0.004 0.5305 0.5305
Brugia malayi Melatonin receptor type 1A 0.004 0.5305 0.5305
Echinococcus granulosus tm gpcr rhodopsin 0.004 0.5305 0.5305
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Echinococcus multilocularis sex peptide receptor 0.004 0.5305 0.5305
Echinococcus multilocularis neuropeptide receptor 0.004 0.5305 0.5305
Echinococcus granulosus neuropeptides capa receptor 0.004 0.5305 0.5305
Schistosoma mansoni hypothetical protein 0.004 0.5305 0.5305
Brugia malayi hypothetical protein 0.004 0.5305 0.5305
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.004 0.5305 0.5305
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.5305 0.5305
Loa Loa (eye worm) TYRA-2 protein 0.004 0.5305 0.5305
Echinococcus granulosus g protein coupled receptor 0.004 0.5305 0.5305
Loa Loa (eye worm) G-protein coupled receptor 0.004 0.5305 0.5305
Echinococcus multilocularis rhodopsin orphan GPCR 0.004 0.5305 0.5305
Schistosoma mansoni rhodopsin-like orphan GPCR 0.004 0.5305 0.5305
Echinococcus multilocularis serotonin receptor 0.004 0.5305 0.5305

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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

No literature references available for this target.

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