Detailed information for compound 345812

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 531.623 | Formula: C29H29N3O5S
  • H donors: 2 H acceptors: 4 LogP: 5.42 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)C)CC(=O)N/N=C(/c1c(O)ccc2c1cccc2)\C
  • InChi: 1S/C29H29N3O5S/c1-4-37-24-14-16-25(17-15-24)38(35,36)32(23-12-9-20(2)10-13-23)19-28(34)31-30-21(3)29-26-8-6-5-7-22(26)11-18-27(29)33/h5-18,33H,4,19H2,1-3H3,(H,31,34)/b30-21+
  • InChiKey: FDSZMQJDKINTMD-MWAVMZGNSA-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 oxytocin receptor Starlite/ChEMBL References
Homo sapiens arginine vasopressin receptor 1A 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
Loa Loa (eye worm) hypothetical protein 0.01 0.1369 0.1494
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.048 0.0474
Echinococcus granulosus tyrosine protein kinase HCK 0.0032 0.0268 0.0268
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0145 0.2087 0.2282
Echinococcus granulosus N chimaerin 0.0104 0.1434 0.1434
Schistosoma mansoni hypothetical protein 0.004 0.04 0.0394
Brugia malayi diacylglycerol kinase 0.01 0.1369 0.1759
Onchocerca volvulus 0.0436 0.6792 1
Brugia malayi Protein kinase domain containing protein 0.0145 0.2087 0.2685
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0106 0.1466 0.16
Echinococcus granulosus multiple C2 and transmembrane domain containing protein 0.0016 0.0006 0.0006
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.048 0.0612
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0104 0.1434 0.1434
Schistosoma mansoni serine/threonine protein kinase 0.0257 0.3904 0.39
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.005 0.0096
Entamoeba histolytica diacylglycerol kinase, putative 0.01 0.1369 0.3498
Echinococcus granulosus tyrosine protein kinase Src42A 0.0035 0.0315 0.0315
Leishmania major protein kinase A catalytic subunit isoform 1 0.0257 0.3904 0.8535
Echinococcus granulosus protein kinase C gamma type 0.0534 0.838 0.838
Echinococcus granulosus RNA directed DNA polymerase 0.0373 0.5786 0.5786
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0257 0.3904 0.3904
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.048 0.048
Echinococcus granulosus protein kinase c eta type 0.01 0.1369 0.1369
Echinococcus granulosus protein kinase c epsilon type 0.0479 0.7493 0.7493
Entamoeba histolytica protein kinase, putative 0.0145 0.2087 0.534
Trichomonas vaginalis AGC family protein kinase 0.0145 0.2087 0.534
Echinococcus granulosus tyrosine protein kinase Fyn 0.004 0.0396 0.0396
Echinococcus multilocularis C2 calcium lipid binding region, CaLB 0.0016 0.0006 0.0006
Onchocerca volvulus 0.01 0.1369 0.2009
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0428 0.0924
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0257 0.3904 0.3904
Echinococcus granulosus UNCoordinated family member unc 13 0.0016 0.0006 0.0006
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.2032 0.4437
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0257 0.3904 0.8535
Echinococcus granulosus tyrosine kinase 0.0036 0.0333 0.0333
Echinococcus granulosus 1-Phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta-4 0.0016 0.0006 0.0006
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.048 0.052
Trichomonas vaginalis ion channel nompc, putative 0.0016 0.0006 0.00000020382
Loa Loa (eye worm) hypothetical protein 0.01 0.1369 0.1494
Echinococcus multilocularis synaptotagmin 0.0016 0.0006 0.0006
Leishmania major mitochondrial DNA polymerase beta 0.0298 0.4573 1
Entamoeba histolytica protein kinase, putative 0.0032 0.0268 0.0673
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0324 0.0318
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0016 0.0006 0.0006
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.0257 0.3904 0.8535
Echinococcus multilocularis unc 13 (munc13) 0.0116 0.1626 0.1626
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.005 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0257 0.3904 0.39
Echinococcus granulosus neural cell expressed developmentally 0.0016 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.058 0.913 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0424 0.1073
Trichomonas vaginalis AGC family protein kinase 0.0145 0.2087 0.534
Echinococcus multilocularis UNCoordinated family member (unc 13) 0.0016 0.0006 0.0006
Echinococcus granulosus tyrosine protein kinase Fyn 0.004 0.0396 0.0396
Trichomonas vaginalis AGC family protein kinase 0.0145 0.2087 0.534
Entamoeba histolytica hypothetical protein 0.0036 0.0324 0.0816
Loa Loa (eye worm) TK protein kinase 0.0036 0.0333 0.0358
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0145 0.2087 0.2282
Echinococcus granulosus protein kinase c iota type 0.0245 0.3707 0.3707
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.0257 0.3904 1
Schistosoma mansoni serine/threonine protein kinase 0.0101 0.1387 0.1382
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0145 0.2087 0.2087
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0145 0.2087 0.2087
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0016 0.0006 0.0006
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0036 0.0333 0.0333
Echinococcus multilocularis expressed conserved protein 0.0091 0.1226 0.1226
Toxoplasma gondii AGC kinase 0.0257 0.3904 1
Brugia malayi RhoGAP domain containing protein 0.0104 0.1434 0.1842
Echinococcus granulosus tyrosine protein kinase Fyn 0.004 0.0396 0.0396
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0145 0.2087 0.2087
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.005 0.0048
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0428 0.0924
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.0257 0.3904 0.8535
Entamoeba histolytica hypothetical protein 0.01 0.1369 0.3498
Brugia malayi Variant SH3 domain containing protein 0.002 0.007 0.0083
Echinococcus multilocularis tyrosine protein kinase Blk 0.0036 0.0333 0.0333
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0251 0.3808 0.3808
Echinococcus granulosus synaptotagmin 0.0016 0.0006 0.0006
Loa Loa (eye worm) raf kinase 0.01 0.1369 0.1494
Entamoeba histolytica diacylglycerol kinase, putative 0.01 0.1369 0.3498
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0104 0.1434 0.1434
Schistosoma mansoni serine/threonine protein kinase 0.0145 0.2087 0.2083
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0036 0.0333 0.0333
Loa Loa (eye worm) hypothetical protein 0.01 0.1369 0.1494
Brugia malayi Variant SH3 domain containing protein 0.0104 0.1434 0.1842
Brugia malayi Protein kinase domain containing protein 0.0145 0.2087 0.2685
Trichomonas vaginalis AGC family protein kinase 0.0145 0.2087 0.534
Schistosoma mansoni serine/threonine protein kinase 0.0145 0.2087 0.2083
Echinococcus granulosus protein piccolo 0.0016 0.0006 0.0006
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.005 0.0096
Leishmania major hypothetical protein, conserved 0.0016 0.0006 0.00000017396
Loa Loa (eye worm) hypothetical protein 0.0474 0.7405 0.811
Trypanosoma brucei C2 domain/Ankyrin repeats (3 copies), putative 0.0016 0.0006 0.00000017396
Echinococcus granulosus myotubularin protein 13 0.01 0.1369 0.1369
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.1346 0.1341
Schistosoma mansoni serine/threonine protein kinase 0.0106 0.1466 0.1461
Echinococcus multilocularis protein patched 0.0042 0.0424 0.0424
Trichomonas vaginalis AGC family protein kinase 0.0145 0.2087 0.534
Echinococcus multilocularis serine threonine protein kinase 0.0534 0.838 0.838
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0576 0.1249
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0257 0.3904 0.3904
Loa Loa (eye worm) hypothetical protein 0.01 0.1369 0.1494
Loa Loa (eye worm) hypothetical protein 0.0373 0.5786 0.6335
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0428 0.0924
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.1322 0.1698
Echinococcus granulosus NDR protein kinase 0.0145 0.2087 0.2087
Echinococcus granulosus Diacylglycerol kinase theta 0.01 0.1369 0.1369
Schistosoma mansoni serine/threonine protein kinase 0.0479 0.7493 0.7492
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0298 0.4573 1
Trichomonas vaginalis AGC family protein kinase 0.0145 0.2087 0.534
Loa Loa (eye worm) hypothetical protein 0.01 0.1369 0.1494
Entamoeba histolytica PH domain containing protein kinase, putative 0.0224 0.3375 0.8644
Echinococcus multilocularis protein kinase c eta type 0.01 0.1369 0.1369
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0106 0.1466 0.1883
Schistosoma mansoni serine/threonine protein kinase 0.0634 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.1369 0.1494
Echinococcus multilocularis synaptotagmin 0.0016 0.0006 0.0006
Brugia malayi RhoGAP domain containing protein 0.01 0.1369 0.1759
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.005 0.0057
Schistosoma mansoni hypothetical protein 0.01 0.1369 0.1364
Loa Loa (eye worm) RasGEF domain-containing protein 0.01 0.1369 0.1494
Echinococcus granulosus Rac GTPase activating protein 1 0.01 0.1369 0.1369
Entamoeba histolytica protein kinase, putative 0.0022 0.0102 0.0247
Echinococcus granulosus unc 13 munc13 0.0116 0.1626 0.1626
Trichomonas vaginalis AGC family protein kinase 0.0145 0.2087 0.534
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0251 0.3808 0.3808
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0035 0.0315 0.0315
Entamoeba histolytica protein kinase, putative 0.0145 0.2087 0.534
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0257 0.3904 0.3904
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0016 0.0006 0.0006
Echinococcus granulosus C2 calcium lipid binding region CaLB 0.0016 0.0006 0.0006
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0116 0.1626 0.1626
Schistosoma mansoni protein kinase C 0.0116 0.1626 0.1621
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0257 0.3904 0.5028
Schistosoma mansoni unc-13 (munc13) 0.0116 0.1626 0.1621
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.0257 0.3904 0.8535
Echinococcus multilocularis tyrosine protein kinase Fgr 0.004 0.0396 0.0396
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0145 0.2087 0.2282
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0424 0.0459
Loa Loa (eye worm) AGC/NDR protein kinase 0.0145 0.2087 0.2282
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0016 0.0006 0.00000020382
Echinococcus granulosus extended synaptotagmin 2 0.0016 0.0006 0.0006
Entamoeba histolytica protein kinase, putative 0.0022 0.0102 0.0247
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0106 0.1466 0.1466
Echinococcus multilocularis protein kinase c iota type 0.0245 0.3707 0.3707
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.005 0.0113
Entamoeba histolytica protein kinase, putative 0.0145 0.2087 0.534
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0145 0.2087 0.2087
Brugia malayi protein-tyrosine kinase 0.0036 0.0333 0.0422
Echinococcus granulosus synaptotagmin 0.0016 0.0006 0.0006
Echinococcus multilocularis Diacylglycerol kinase theta 0.01 0.1369 0.1369
Brugia malayi p70 ribosomal S6 kinase beta 0.0145 0.2087 0.2685
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.01 0.1369 0.1494
Loa Loa (eye worm) hypothetical protein 0.0257 0.3904 0.4273
Echinococcus multilocularis synaptotagmin 15 0.0016 0.0006 0.0006
Entamoeba histolytica hypothetical protein 0.0036 0.0324 0.0816
Brugia malayi CHE-14 protein 0.0042 0.0424 0.054
Toxoplasma gondii diacylglycerol kinase, putative 0.01 0.1369 0.3498
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0298 0.4573 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0036 0.0333 0.0333
Schistosoma mansoni diacylglycerol kinase theta 0.01 0.1369 0.1364
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.004 0.0396 0.0396
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0634 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.2032 0.4437
Loa Loa (eye worm) hypothetical protein 0.0051 0.0576 0.0625
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0016 0.0006 0.0006
Brugia malayi SRC-1 0.004 0.0396 0.0503
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0395 0.6138 0.6721
Echinococcus granulosus tyrosine protein kinase Src42A 0.004 0.0396 0.0396
Echinococcus granulosus active breakpoint cluster region 0.0016 0.0006 0.0006
Schistosoma mansoni protein kinase C mu 0.01 0.1369 0.1364
Echinococcus multilocularis multiple C2 and transmembrane domain containing protein 0.0016 0.0006 0.0006
Trypanosoma brucei rac serine-threonine kinase, putative 0.0145 0.2087 0.4558
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.005 0.5
Brugia malayi C1-like domain containing protein 0.0106 0.1466 0.1883
Schistosoma mansoni serine/threonine protein kinase 0.0106 0.1466 0.1461
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.004 0.0396 0.0396
Toxoplasma gondii exonuclease III APE 0.0019 0.005 0.0113
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.048 0.048
Echinococcus multilocularis tyrosine protein kinase Fyn 0.004 0.0396 0.0396
Echinococcus multilocularis NEDD4 E3 ubiquitin protein ligase WWP1 0.0016 0.0006 0.0006
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.005 0.0113
Toxoplasma gondii AGC kinase 0.0145 0.2087 0.534
Echinococcus multilocularis Niemann Pick C1 protein 0.0139 0.1997 0.1997
Brugia malayi protein kinase C3,putative 0.0106 0.1466 0.1883
Toxoplasma gondii AGC kinase 0.0257 0.3904 1
Schistosoma mansoni ap endonuclease 0.0019 0.005 0.0044
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0373 0.5786 0.5786
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.1322 0.3376
Loa Loa (eye worm) SRC-1 0.004 0.0396 0.0427
Loa Loa (eye worm) hypothetical protein 0.0436 0.6792 0.7437
Echinococcus multilocularis extended synaptotagmin 2 0.0016 0.0006 0.0006
Entamoeba histolytica protein kinase, putative 0.0145 0.2087 0.534
Echinococcus granulosus synaptotagmin 15 0.0016 0.0006 0.0006
Schistosoma mansoni atypical protein kinase C 0.0245 0.3707 0.3704
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.0257 0.3904 0.8535
Echinococcus multilocularis protein dispatched 1 0.0048 0.052 0.052
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0104 0.1434 0.1429
Brugia malayi diacylglycerol kinase 0.01 0.1369 0.1759
Leishmania major protein kinase A catalytic subunit 0.0257 0.3904 0.8535
Schistosoma mansoni serine/threonine protein kinase 0.0634 1 1
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0424 0.0424
Trichomonas vaginalis AGC family protein kinase 0.0145 0.2087 0.534
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.048 0.0474
Giardia lamblia Kinase, AGC PKA 0.0257 0.3904 1
Trypanosoma cruzi C2 domain/Ankyrin repeats (3 copies), putative 0.0016 0.0006 0.00000017396
Mycobacterium tuberculosis Conserved hypothetical protein 0.0157 0.229 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.005 0.0113
Echinococcus granulosus synaptotagmin 0.0016 0.0006 0.0006
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.005 0.0113
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0139 0.1991 0.5093
Echinococcus multilocularis RNA directed DNA polymerase 0.0373 0.5786 0.5786
Echinococcus multilocularis serine:threonine protein kinase 38 0.0145 0.2087 0.2087
Schistosoma mansoni protein kinase C mu 0.0106 0.1466 0.1461
Echinococcus multilocularis protein kinase c epsilon type 0.0479 0.7493 0.7493
Echinococcus granulosus expressed conserved protein 0.0091 0.1226 0.1226
Schistosoma mansoni hypothetical protein 0.004 0.04 0.0394
Echinococcus granulosus copine 9 0.0016 0.0006 0.0006
Echinococcus granulosus raf serine:threonine protein kinase 0.0101 0.1387 0.1387
Echinococcus multilocularis tyrosine protein kinase HCK 0.0032 0.0268 0.0268
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0324 0.0324
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.048 0.048
Echinococcus multilocularis neural cell expressed, developmentally 0.0016 0.0006 0.0006
Echinococcus multilocularis protein piccolo 0.0016 0.0006 0.0006
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.004 0.0396 0.0396
Echinococcus multilocularis 1 phosphatidylinositol 4,5 bisphosphate 0.0016 0.0006 0.0006
Echinococcus multilocularis serine:threonine protein kinase N2 0.0363 0.5617 0.5617
Brugia malayi Ras association domain family 1 isoform A 0.01 0.1369 0.1759
Echinococcus granulosus copine 9 0.0016 0.0006 0.0006
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.005 0.0096
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.005 0.0096
Brugia malayi Pleckstrin Homology Domain 0.01 0.1369 0.1759
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0104 0.1434 0.1565
Brugia malayi Protein kinase c protein 2 0.0495 0.7758 1
Echinococcus multilocularis synaptotagmin 2 0.0016 0.0006 0.0006
Trichomonas vaginalis AGC family protein kinase 0.0145 0.2087 0.534
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0016 0.0006 0.0006
Echinococcus multilocularis raf serine:threonine protein kinase 0.0101 0.1387 0.1387
Loa Loa (eye worm) hypothetical protein 0.01 0.1369 0.1494
Toxoplasma gondii hypothetical protein 0.0048 0.0527 0.1338
Echinococcus granulosus otoferlin 0.0016 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0036 0.0324 0.0318
Loa Loa (eye worm) TK protein kinase 0.0032 0.0268 0.0288
Entamoeba histolytica PH domain containing protein kinase, putative 0.0257 0.3904 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0479 0.7493 0.8206
Schistosoma mansoni serine/threonine protein kinase 0.0145 0.2087 0.2083
Brugia malayi Hr1 repeat family protein 0.0145 0.2087 0.2685
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0424 0.0424
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.0257 0.3904 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0224 0.3375 0.3375
Echinococcus multilocularis tyrosine protein kinase Src64B 0.004 0.0396 0.0396
Schistosoma mansoni hypothetical protein 0.004 0.04 0.0394
Entamoeba histolytica PH domain containing protein kinase, putative 0.0257 0.3904 1
Echinococcus multilocularis Rac GTPase activating protein 1 0.01 0.1369 0.1369
Leishmania major protein kinase A catalytic subunit isoform 2 0.0257 0.3904 0.8535
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0116 0.1626 0.1626
Loa Loa (eye worm) AGC/PKN protein kinase 0.0145 0.2087 0.2282
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.005 0.0113
Echinococcus multilocularis serine:threonine protein kinase N2 0.0145 0.2087 0.2087
Echinococcus multilocularis tyrosine protein kinase Fyn 0.004 0.0396 0.0396
Echinococcus granulosus intersectin 2 0.002 0.0069 0.0069
Echinococcus multilocularis synaptotagmin 0.0016 0.0006 0.0006
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0145 0.2087 0.2087
Loa Loa (eye worm) hypothetical protein 0.0116 0.1626 0.1775
Schistosoma mansoni serine/threonine protein kinase 0.0145 0.2087 0.2083
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.048 0.048
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0106 0.1466 0.16
Brugia malayi Protein kinase domain containing protein 0.0145 0.2087 0.2685
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0428 0.0924
Echinococcus granulosus multiple C2 and transmembrane domain containing protein 0.0016 0.0006 0.0006
Schistosoma mansoni diacylglycerol kinase theta 0.01 0.1369 0.1364
Echinococcus granulosus synaptotagmin 0.0016 0.0006 0.0006
Schistosoma mansoni rac gtpase activating protein 0.01 0.1369 0.1364
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0257 0.3904 0.8535
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0016 0.0006 0.0006
Brugia malayi hypothetical protein 0.0036 0.0324 0.041
Loa Loa (eye worm) hypothetical protein 0.01 0.1369 0.1494
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0324 0.0324
Entamoeba histolytica hypothetical protein 0.0036 0.0324 0.0816
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0104 0.1434 0.1429
Echinococcus multilocularis copine 9 0.0016 0.0006 0.0006
Echinococcus multilocularis copine 9 0.0016 0.0006 0.0006
Trichomonas vaginalis AGC family protein kinase 0.0145 0.2087 0.534
Echinococcus multilocularis synaptotagmin protein 4 0.0016 0.0006 0.0006
Echinococcus multilocularis tyrosine protein kinase Src42A 0.004 0.0396 0.0396
Trichomonas vaginalis AGC family protein kinase 0.0257 0.3904 1
Schistosoma mansoni patched 1 0.0042 0.0424 0.0419
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.1322 0.1322
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0298 0.4573 1
Echinococcus multilocularis multiple C2 and transmembrane domain containing protein 0.0016 0.0006 0.0006
Schistosoma mansoni serine/threonine kinase 0.0145 0.2087 0.2083
Schistosoma mansoni hypothetical protein 0.004 0.04 0.0394
Echinococcus granulosus Immunoglobulin E set 0.0016 0.0006 0.0006
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0257 0.3904 0.3904
Echinococcus multilocularis calpain 5 0.0016 0.0006 0.0006
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0145 0.2087 0.2087
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.004 0.0396 0.0396
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.01 0.1369 0.1494
Mycobacterium ulcerans hypothetical protein 0.0157 0.229 1
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.0257 0.3904 1
Loa Loa (eye worm) variant SH3 domain-containing protein 0.002 0.007 0.0071
Echinococcus multilocularis myotubularin protein 13 0.01 0.1369 0.1369
Echinococcus multilocularis intersectin 2 0.002 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0436 0.6792 0.7437
Entamoeba histolytica hypothetical protein 0.0036 0.0324 0.0816
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.0257 0.3904 0.8535
Schistosoma mansoni vav2 0.0104 0.1434 0.1429
Schistosoma mansoni unc-13 (munc13) 0.0116 0.1626 0.1621
Onchocerca volvulus 0.01 0.1369 0.2009
Loa Loa (eye worm) AGC/PKA protein kinase 0.0257 0.3904 0.4273
Brugia malayi protein kinase C II. 0.0479 0.7493 0.9658
Loa Loa (eye worm) hypothetical protein 0.0097 0.1322 0.1442
Loa Loa (eye worm) hypothetical protein 0.0436 0.6792 0.7437
Loa Loa (eye worm) hypothetical protein 0.0536 0.8411 0.9213
Echinococcus granulosus tyrosine protein kinase Lyn 0.0046 0.0492 0.0492
Echinococcus granulosus calpain 5 0.0016 0.0006 0.0006
Echinococcus granulosus C2 calcium lipid binding region CaLB 0.0016 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0042 0.0424 0.0459
Echinococcus granulosus tyrosine protein kinase Src64B 0.004 0.0396 0.0396
Brugia malayi Protein kinase domain containing protein 0.0106 0.1466 0.1883
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0106 0.1466 0.1466
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.048 0.0474
Schistosoma mansoni serine/threonine protein kinase 0.0257 0.3904 0.39
Echinococcus granulosus synaptotagmin 0.0016 0.0006 0.0006
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.004 0.0396 0.0396
Echinococcus granulosus NEDD4 E3 ubiquitin protein ligase WWP1 0.0016 0.0006 0.0006
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.1322 0.1322
Echinococcus multilocularis N chimaerin 0.0104 0.1434 0.1434
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0141 0.2032 0.4437
Schistosoma mansoni ap endonuclease 0.0019 0.005 0.0044
Echinococcus multilocularis myoferlin 0.0016 0.0006 0.0006
Echinococcus granulosus synaptotagmin protein 4 0.0016 0.0006 0.0006
Echinococcus multilocularis synaptotagmin 0.0016 0.0006 0.0006
Trichomonas vaginalis AGC family protein kinase 0.0145 0.2087 0.534
Loa Loa (eye worm) AGC/AKT protein kinase 0.0145 0.2087 0.2282
Echinococcus granulosus myoferlin 0.0016 0.0006 0.0006
Schistosoma mansoni tyrosine kinase 0.004 0.0396 0.039
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0145 0.2087 0.2282
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.005 0.005
Onchocerca volvulus 0.0116 0.1626 0.2387
Echinococcus multilocularis active breakpoint cluster region 0.0016 0.0006 0.0006
Echinococcus multilocularis synaptotagmin 0.0016 0.0006 0.0006
Schistosoma mansoni tyrosine kinase 0.004 0.0396 0.039
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0257 0.3904 0.3904
Echinococcus multilocularis tyrosine protein kinase Fyn 0.004 0.0396 0.0396
Loa Loa (eye worm) AGC/PKA protein kinase 0.0257 0.3904 0.4273
Echinococcus granulosus Niemann Pick C1 protein 0.0139 0.1997 0.1997
Echinococcus granulosus synaptotagmin 2 0.0016 0.0006 0.0006
Echinococcus granulosus serine:threonine protein kinase N2 0.0145 0.2087 0.2087
Echinococcus granulosus tyrosine protein kinase Blk 0.0036 0.0333 0.0333
Echinococcus multilocularis 0.0016 0.0006 0.0006
Echinococcus multilocularis C2 calcium lipid binding region, CaLB 0.0016 0.0006 0.0006
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0424 0.0424
Brugia malayi RhoGEF domain containing protein 0.01 0.1369 0.1759
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0257 0.3904 0.3904
Loa Loa (eye worm) variant SH3 domain-containing protein 0.01 0.1369 0.1494

Activities

Activity type Activity value Assay description Source Reference
Ki (functional) > 10000 nM Displacement of [125I]-OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells ChEMBL. 16302826
Ki (functional) > 10000 nM Displacement of [125I]-LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells ChEMBL. 16302826
Ki (functional) > 10000 nM Displacement of [125I]-OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells ChEMBL. 16302826
Ki (functional) > 10000 nM Displacement of [125I]-LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells ChEMBL. 16302826

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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