Detailed information for compound 1505574

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 433.498 | Formula: C24H20FN3O2S
  • H donors: 1 H acceptors: 4 LogP: 2.22 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C1CN(C1)Cc1ccc(c(c1)F)c1nc2c(s1)nc(cc2)Cc1ccccc1
  • InChi: 1S/C24H20FN3O2S/c25-20-11-16(12-28-13-17(14-28)24(29)30)6-8-19(20)22-27-21-9-7-18(26-23(21)31-22)10-15-4-2-1-3-5-15/h1-9,11,17H,10,12-14H2,(H,29,30)
  • InChiKey: PXKJTYMRFSNITB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens sphingosine-1-phosphate receptor 1 Starlite/ChEMBL References
Homo sapiens sphingosine-1-phosphate receptor 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus multilocularis neuropeptide s receptor 0.0008 0.0041 0.0025
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0611 0.1494
Loa Loa (eye worm) hypothetical protein 0.0039 0.0818 0.2339
Echinococcus granulosus fmrfamide receptor 0.0008 0.0041 0.0025
Echinococcus multilocularis lipoxygenase domain containing protein 0.0039 0.0818 0.0804
Echinococcus multilocularis allatostatin A receptor 0.0008 0.0041 0.0025
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0552 0.1538
Echinococcus multilocularis Polycystic kidney disease protein 0.0039 0.0818 0.0804
Echinococcus multilocularis serotonin receptor 0.0008 0.0041 0.0025
Schistosoma mansoni biogenic amine (5HT) receptor 0.0008 0.0041 0.0025
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0368 0.0353
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0059 0.0056
Loa Loa (eye worm) dihydrofolate reductase 0.0044 0.0927 0.2667
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.1108 1
Echinococcus granulosus tm gpcr rhodopsin 0.0008 0.0041 0.0025
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0859 0.22
Entamoeba histolytica hypothetical protein 0.0023 0.0419 1
Echinococcus granulosus tm gpcr rhodopsin 0.0008 0.0041 0.0025
Echinococcus granulosus hypothetical protein 0.0008 0.0041 0.0025
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0064 0.1442 0.1429
Loa Loa (eye worm) TK/INSR protein kinase 0.0141 0.3364 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0008 0.0041 0.0025
Echinococcus multilocularis epidermal growth factor receptor 0.0064 0.1442 0.1429
Echinococcus multilocularis dna polymerase kappa 0.0041 0.0859 0.0844
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0859 0.22
Schistosoma mansoni polycystin 1-related 0.0039 0.0818 0.0804
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0008 0.0041 0.0025
Schistosoma mansoni neuropeptide F-like receptor 0.0008 0.0041 0.0025
Echinococcus granulosus sex peptide receptor 0.0008 0.0041 0.0025
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0009 0.0057 0.005
Schistosoma mansoni neuropeptide receptor 0.0008 0.0041 0.0025
Schistosoma mansoni neuropeptide receptor 0.0008 0.0041 0.0025
Echinococcus granulosus 7TM GPCR rhodopsin 0.0008 0.0041 0.0025
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0368 0.3325
Echinococcus granulosus rhodopsin orphan GPCR 0.0008 0.0041 0.0025
Entamoeba histolytica deoxycytidyl transferase, putative 0.0014 0.0198 0.2565
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0014 0.0198 0.0183
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0151 0.3596 1
Loa Loa (eye worm) doublecortin family protein 0.0039 0.0818 0.2339
Schistosoma mansoni neuropeptide F-like receptor 0.0008 0.0041 0.0025
Schistosoma mansoni myosin xvIII 0.0008 0.0041 0.0025
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.000000000090233 0.00000000081418
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0008 0.0041 0.0025
Echinococcus granulosus dna polymerase eta 0.0014 0.0198 0.0183
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0008 0.0041 0.0025
Echinococcus granulosus neuropeptide FF receptor 2 0.0008 0.0041 0.0025
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0008 0.0041 0.0025
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0008 0.0041 0.0025
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.000000000090233 0.00000000081418
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0107 0.2508 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0008 0.0041 0.0025
Echinococcus granulosus rhodopsin orphan GPCR 0.0008 0.0041 0.0025
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0859 0.2103
Brugia malayi Furin-like cysteine rich region family protein 0.0064 0.1442 0.4217
Schistosoma mansoni hypothetical protein 0.0008 0.0041 0.0025
Schistosoma mansoni opsin-like receptor 0.0008 0.0041 0.0025
Brugia malayi hypothetical protein 0.0039 0.0818 0.2339
Schistosoma mansoni cpg binding protein 0.0029 0.0552 0.0537
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0008 0.0041 0.0025
Onchocerca volvulus 0.0107 0.2508 1
Echinococcus granulosus bloom syndrome protein 0.0021 0.0368 0.0353
Echinococcus granulosus insulin receptor 0.0141 0.3364 0.3354
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0008 0.0041 0.0025
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0172 0.414 0.4131
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0044 0.0927 0.369
Echinococcus multilocularis neuropeptides capa receptor 0.0008 0.0041 0.0025
Schistosoma mansoni hypothetical protein 0.0008 0.0041 0.0025
Echinococcus granulosus Polycystic kidney disease protein 0.0039 0.0818 0.0804
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0141 0.3364 0.3354
Echinococcus multilocularis g protein coupled receptor 0.0008 0.0041 0.0025
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0859 0.22
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0008 0.0041 0.0025
Schistosoma mansoni neuropeptide f receptor 76f 0.0008 0.0041 0.0025
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0368 0.3325
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0057 0.0000000002816
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0859 0.22
Schistosoma mansoni tyrosine kinase 0.0063 0.1414 0.14
Echinococcus granulosus rhodopsin orphan GPCR 0.0008 0.0041 0.0025
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0008 0.0041 0.0025
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0056 0.0047
Schistosoma mansoni tyrosine kinase 0.0064 0.1442 0.1429
Mycobacterium tuberculosis Conserved hypothetical protein 0.0014 0.0198 0.0781
Echinococcus granulosus neuropeptides capa receptor 0.0008 0.0041 0.0025
Echinococcus multilocularis sex peptide receptor 0.0008 0.0041 0.0025
Schistosoma mansoni biogenic amine receptor 0.0008 0.0041 0.0025
Onchocerca volvulus 0.0029 0.0552 0.2072
Echinococcus granulosus epidermal growth factor receptor 0.0064 0.1442 0.1429
Echinococcus multilocularis neuropeptide Y receptor 0.0008 0.0041 0.0025
Schistosoma mansoni cpg binding protein 0.003 0.0593 0.0578
Echinococcus multilocularis orexin receptor type 2 0.0008 0.0041 0.0025
Schistosoma mansoni tyrosine kinase 0.0063 0.1414 0.14
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0611 0.1494
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.000000000090233 0.00000000081418
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.000000000090233 0.00000000081418
Schistosoma mansoni neuropeptide receptor 0.0008 0.0041 0.0025
Echinococcus granulosus RUN 0.0039 0.0818 0.0804
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0859 0.22
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0008 0.0041 0.0025
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.000000000090233 0.00000000081418
Echinococcus granulosus peptide allatostatin:somatostatin 0.0008 0.0041 0.0025
Echinococcus multilocularis neuropeptide receptor 0.0008 0.0041 0.0025
Onchocerca volvulus 0.0039 0.0818 0.3151
Echinococcus multilocularis rhodopsin orphan GPCR 0.0008 0.0041 0.0025
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0419 0.0654
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0362 0.1435
Echinococcus granulosus dihydrofolate reductase 0.0044 0.0927 0.0913
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0008 0.0041 0.0025
Echinococcus multilocularis neuropeptide receptor A26 0.0008 0.0041 0.0025
Echinococcus granulosus neuropeptide Y receptor 0.0008 0.0041 0.0025
Loa Loa (eye worm) hypothetical protein 0.0017 0.0261 0.0664
Loa Loa (eye worm) hypothetical protein 0.0031 0.0611 0.1715
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0008 0.0041 0.0025
Echinococcus granulosus neuropeptide receptor 0.0008 0.0041 0.0025
Chlamydia trachomatis dihydrofolate reductase 0.0044 0.0927 1
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0419 0.0949
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0304 0.0698
Schistosoma mansoni alpha-1 adrenergic receptor 0.0008 0.0041 0.0025
Schistosoma mansoni tyrosine kinase 0.0141 0.3364 0.3354
Echinococcus multilocularis fmrfamide receptor 0.0008 0.0041 0.0025
Schistosoma mansoni tyrosine kinase 0.0064 0.1442 0.1429
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0014 0.0198 0.0474
Mycobacterium ulcerans thymidylate synthase 0.0107 0.2508 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0151 0.3596 1
Echinococcus multilocularis fmrfamide receptor 0.0008 0.0041 0.0025
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0008 0.0041 0.0025
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0044 0.0927 0.243
Echinococcus multilocularis lipoxygenase domain containing protein 0.0039 0.0818 0.0804
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0859 0.22
Echinococcus multilocularis g protein coupled receptor 0.0008 0.0041 0.0025
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0008 0.0041 0.0025
Echinococcus multilocularis dna polymerase eta 0.0014 0.0198 0.0183
Loa Loa (eye worm) TK/EGFR protein kinase 0.0064 0.1442 0.4217
Trypanosoma brucei DNA polymerase eta, putative 0.0014 0.0198 0.0318
Echinococcus granulosus g protein coupled receptor 0.0008 0.0041 0.0025
Echinococcus multilocularis insulin receptor 0.0141 0.3364 0.3354
Echinococcus granulosus g protein coupled receptor 0.0008 0.0041 0.0025
Schistosoma mansoni biogenic amine (5HT) receptor 0.0008 0.0041 0.0025
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.025 0.0467
Mycobacterium tuberculosis Hypothetical protein 0.0051 0.1108 0.4414
Echinococcus multilocularis serotonin receptor 0.0008 0.0041 0.0025
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0859 0.2121
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0008 0.0041 0.0025
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0008 0.0041 0.0025
Echinococcus multilocularis thymidylate synthase 0.0107 0.2508 0.2496
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0008 0.0041 0.0025
Loa Loa (eye worm) hypothetical protein 0.0039 0.0818 0.2339
Echinococcus multilocularis g protein coupled receptor 0.0008 0.0041 0.0025
Echinococcus multilocularis neuropeptides capa receptor 0.0008 0.0041 0.0025
Echinococcus multilocularis neuropeptide receptor 0.0008 0.0041 0.0025
Loa Loa (eye worm) hypothetical protein 0.0083 0.1904 0.5606
Echinococcus multilocularis rhodopsin orphan GPCR 0.0008 0.0041 0.0025
Echinococcus granulosus dro:myosuppressin receptor 0.0008 0.0041 0.0025
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0008 0.0041 0.0025
Leishmania major DNA polymerase eta, putative 0.0014 0.0198 0.022
Echinococcus granulosus neuropeptide receptor A26 0.0008 0.0041 0.0025
Echinococcus granulosus neuropeptide s receptor 0.0008 0.0041 0.0025
Schistosoma mansoni terminal deoxycytidyl transferase 0.0014 0.0198 0.0183
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.0122 0.01
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0044 0.0927 0.243
Schistosoma mansoni amine GPCR 0.0008 0.0041 0.0025
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0044
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0859 0.22
Giardia lamblia DINP protein human, muc B family 0.0021 0.0362 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0859 0.22
Schistosoma mansoni rab6-interacting 0.0039 0.0818 0.0804
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0008 0.0041 0.0025
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0257 0.0242
Echinococcus multilocularis G-protein coupled receptor, putative 0.0008 0.0041 0.0025
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0008 0.0041 0.0025
Loa Loa (eye worm) RecQ helicase 0.0021 0.0368 0.0987
Schistosoma mansoni opsin-like receptor 0.0008 0.0041 0.0025
Echinococcus multilocularis epidermal growth factor receptor 0.0064 0.1442 0.1429
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0008 0.0041 0.0025
Loa Loa (eye worm) hypothetical protein 0.0077 0.176 0.5174
Echinococcus granulosus lipoxygenase domain containing protein 0.0039 0.0818 0.0804
Echinococcus granulosus neuropeptide receptor 0.0008 0.0041 0.0025
Schistosoma mansoni neuropeptide receptor 0.0008 0.0041 0.0025
Echinococcus granulosus lipoxygenase domain containing protein 0.0039 0.0818 0.0804
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0008 0.0041 0.0025
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0151 0.3596 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0008 0.0041 0.0025
Trichomonas vaginalis DNA polymerase eta, putative 0.0041 0.0859 0.7747
Echinococcus granulosus allatostatin A receptor 0.0008 0.0041 0.0025
Brugia malayi dihydrofolate reductase family protein 0.0044 0.0927 0.2667
Schistosoma mansoni tyrosine kinase 0.0064 0.1442 0.1429
Echinococcus granulosus biogenic amine 5HT receptor 0.0008 0.0041 0.0025
Plasmodium falciparum LCCL domain-containing protein 0.0039 0.0818 0.215
Echinococcus granulosus rhodopsin orphan GPCR 0.0008 0.0041 0.0025
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.1904 0.1891
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0419 0.1023
Schistosoma mansoni amine GPCR 0.0008 0.0041 0.0025
Schistosoma mansoni adenoreceptor 0.0008 0.0041 0.0025
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.119 0.3201
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0008 0.0041 0.0025
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0008 0.0041 0.0025
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0051 0.1108 0.284
Echinococcus multilocularis neuropeptide FF receptor 2 0.0008 0.0041 0.0025
Schistosoma mansoni tyrosine kinase 0.0063 0.1414 0.14
Schistosoma mansoni cpg binding protein 0.003 0.0593 0.0578
Echinococcus granulosus biogenic amine 5HT receptor 0.0008 0.0041 0.0025
Brugia malayi ImpB/MucB/SamB family protein 0.0014 0.0198 0.0474
Loa Loa (eye worm) thymidylate synthase 0.0107 0.2508 0.7423
Schistosoma mansoni hypothetical protein 0.0008 0.0041 0.0025
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0008 0.0041 0.0025
Schistosoma mansoni dihydrofolate reductase 0.0044 0.0927 0.0913
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0151 0.3596 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0859 0.22
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0057 0.005
Echinococcus multilocularis rhodopsin orphan GPCR 0.0008 0.0041 0.0025
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.000000000090233 0.00000000081418
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0859 0.2121
Brugia malayi ImpB/MucB/SamB family protein 0.0014 0.0198 0.0474
Schistosoma mansoni amine GPCR 0.0008 0.0041 0.0025
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.000000000090233 0.00000000081418
Echinococcus granulosus tachykinin peptides receptor 99D 0.0008 0.0041 0.0025
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0193 0.0382
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.025 0.0467
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1352 0.1338
Brugia malayi hypothetical protein 0.0051 0.1108 0.3212
Echinococcus granulosus g protein coupled receptor 0.0008 0.0041 0.0025
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0151 0.3596 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0107 0.2508 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0008 0.0041 0.0025
Trypanosoma cruzi DNA polymerase eta, putative 0.0014 0.0198 0.022
Echinococcus granulosus neuropeptides capa receptor 0.0008 0.0041 0.0025
Brugia malayi Doublecortin family protein 0.0039 0.0818 0.2339
Schistosoma mansoni growth hormone secretagogue receptor 0.0008 0.0041 0.0025
Echinococcus multilocularis 0.0018 0.0299 0.0284
Leishmania major DNA polymerase kappa, putative 0.0021 0.0362 0.0691
Onchocerca volvulus 0.0039 0.0818 0.3151
Brugia malayi Protein kinase domain containing protein 0.0141 0.3364 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0057 0.005
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0008 0.0041 0.0025
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0008 0.0041 0.0025
Echinococcus granulosus rhodopsin orphan GPCR 0.0008 0.0041 0.0025
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0419 0.0857
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.1904 0.1891
Brugia malayi hypothetical protein 0.0039 0.0818 0.2339
Echinococcus granulosus cpg binding protein 0.003 0.0593 0.0578
Brugia malayi thymidylate synthase 0.0107 0.2508 0.7423
Echinococcus multilocularis dro:myosuppressin receptor 0.0008 0.0041 0.0025
Echinococcus granulosus serotonin receptor 0.0008 0.0041 0.0025
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0172 0.414 0.4131
Echinococcus multilocularis cpg binding protein 0.003 0.0593 0.0578
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0008 0.0041 0.0025
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0008 0.0041 0.0025
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0008 0.0041 0.0025
Echinococcus granulosus G protein coupled receptor 139 0.0008 0.0041 0.0025
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0008 0.0041 0.0025
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0008 0.0041 0.0025
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0107 0.2508 0.2496
Echinococcus granulosus tm gpcr rhodopsin 0.0008 0.0041 0.0025
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0419 0.1023
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0009 0.0057 0.0042
Schistosoma mansoni hypothetical protein 0.0008 0.0041 0.0025
Echinococcus multilocularis RUN 0.0039 0.0818 0.0804
Echinococcus multilocularis G protein coupled receptor 139 0.0008 0.0041 0.0025
Echinococcus granulosus 7tm_1 domain containing protein 0.0008 0.0041 0.0025
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0362 0.0691
Brugia malayi polk-prov protein 0.0031 0.0611 0.1715
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0009 0.0057 0.0042
Brugia malayi Protein kinase domain containing protein 0.0078 0.1789 0.526
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0008 0.0041 0.0025
Echinococcus multilocularis g-protein coupled receptor 0.0008 0.0041 0.0025
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0008 0.0041 0.0025
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0044
Schistosoma mansoni lipoxygenase 0.0102 0.2377 0.2365
Echinococcus granulosus somatostatin receptor 0.0008 0.0041 0.0025
Loa Loa (eye worm) hypothetical protein 0.0009 0.0057 0.005
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0368 0.0987
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0859 0.22
Brugia malayi Dihydrofolate reductase 0.0044 0.0927 0.2667
Echinococcus granulosus rhodopsin orphan GPCR 0.0008 0.0041 0.0025
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0008 0.0041 0.0025
Trypanosoma brucei unspecified product 0.0034 0.0695 0.1733
Schistosoma mansoni amine GPCR 0.0008 0.0041 0.0025
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0011 0.0114 0.016
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0041 0.0859 0.7747
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0859 0.2121
Echinococcus multilocularis dihydrofolate reductase 0.0044 0.0927 0.0913
Schistosoma mansoni histamine h1 receptor 0.0008 0.0041 0.0025
Echinococcus granulosus orexin receptor type 2 0.0008 0.0041 0.0025
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0419 0.1023
Brugia malayi CXXC zinc finger family protein 0.0029 0.0552 0.1538
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0419 0.1664
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.1904 0.5606
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0008 0.0041 0.0025
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0008 0.0041 0.0025
Echinococcus multilocularis rhodopsin orphan GPCR 0.0008 0.0041 0.0025
Plasmodium vivax multidomain scavenger receptor, putative 0.0039 0.0818 0.1827
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.1904 0.1891
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0419 0.5
Echinococcus granulosus epidermal growth factor receptor 0.0064 0.1442 0.1429
Echinococcus granulosus g-protein coupled receptor 0.0008 0.0041 0.0025
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.000000000090233 0.00000000081418
Echinococcus granulosus dna polymerase kappa 0.0041 0.0859 0.0844
Schistosoma mansoni hypothetical protein 0.0039 0.0818 0.0804
Schistosoma mansoni lipoxygenase 0.0172 0.414 0.4131
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0419 0.5
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0009 0.0057 0.0042
Echinococcus granulosus alpha 1A adrenergic receptor 0.0008 0.0041 0.0025
Trichomonas vaginalis DNA helicase recq, putative 0.0011 0.0122 0.1097
Schistosoma mansoni DNA helicase recq5 0.0009 0.0057 0.0042
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0859 0.2121
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0008 0.0041 0.0025
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0009 0.0057 0.0042
Schistosoma mansoni DNA polymerase eta 0.0014 0.0198 0.0183
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0008 0.0041 0.0025
Schistosoma mansoni DNA helicase recq1 0.0009 0.0057 0.0042
Schistosoma mansoni biogenic amine receptor 0.0008 0.0041 0.0025
Echinococcus multilocularis neuropeptide Y receptor 0.0008 0.0041 0.0025
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0008 0.0041 0.0025
Schistosoma mansoni tyrosine kinase 0.0141 0.3364 0.3354
Schistosoma mansoni biogenic amine receptor 0.0008 0.0041 0.0025
Schistosoma mansoni hypothetical protein 0.0052 0.1123 0.1109
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0362 0.0785
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0008 0.0041 0.0025
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0151 0.3596 1
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0859 0.2103
Schistosoma mansoni amine GPCR 0.0008 0.0041 0.0025
Loa Loa (eye worm) hypothetical protein 0.0014 0.0198 0.0474
Echinococcus multilocularis rhodopsin orphan GPCR 0.0008 0.0041 0.0025
Echinococcus granulosus thymidylate synthase 0.0107 0.2508 0.2496
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0141 0.3364 0.3354
Onchocerca volvulus 0.0083 0.1904 0.7552
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0859 0.22
Echinococcus multilocularis somatostatin receptor 0.0008 0.0041 0.0025
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0014 0.0198 0.0183
Echinococcus granulosus neuropeptide Y receptor 0.0008 0.0041 0.0025
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.025 0.0467
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0014 0.0198 0.0183
Schistosoma mansoni opsin-like receptor 0.0008 0.0041 0.0025
Trypanosoma brucei DNA polymerase IV, putative 0.0034 0.0695 0.1733
Schistosoma mansoni loxhd1 0.0039 0.0818 0.0804
Schistosoma mansoni rab6-interacting 0.0039 0.0818 0.0804
Echinococcus granulosus rhodopsin orphan GPCR 0.0008 0.0041 0.0025

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 94 % Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay relative to S1P ChEMBL. 24900288
EC50 (binding) = 0.199 uM Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy ChEMBL. 24900288
EC50 (functional) = 0.478 uM Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay ChEMBL. 24900288
Efficacy (binding) = 92 % Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy relative to 1-(4-(6-benzylbenzofuran-2-yl)-3-fluorobenzyl)azetidine-3-carboxylic acid ChEMBL. 24900288

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

1 literature reference was collected for this gene.

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