Detailed information for compound 221402

Basic information

Technical information
  • TDR Targets ID: 221402
  • Name: 1'-(4-bromophenyl)sulfonylspiro[indene-1,4'-p iperidine]
  • MW: 404.321 | Formula: C19H18BrNO2S
  • H donors: 0 H acceptors: 2 LogP: 4.54 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)C=Cc1c2cccc1
  • InChi: 1S/C19H18BrNO2S/c20-16-5-7-17(8-6-16)24(22,23)21-13-11-19(12-14-21)10-9-15-3-1-2-4-18(15)19/h1-10H,11-14H2
  • InChiKey: OTYXVEUYHMHPRE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1'-brosylspiro[indene-1,4'-piperidine]

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Oxytocin receptor Starlite/ChEMBL References
Rattus norvegicus Vasopressin receptor 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
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Oxytocin receptor   388 aa 349 aa 22.9 %
Echinococcus granulosus allatostatin A receptor Oxytocin receptor   388 aa 313 aa 23.6 %
Schistosoma mansoni biogenic amine (5HT) receptor Vasopressin receptor   425 aa 355 aa 26.2 %
Echinococcus granulosus orexin receptor type 2 Oxytocin receptor   388 aa 338 aa 24.3 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Oxytocin receptor   388 aa 346 aa 24.0 %
Loa Loa (eye worm) hypothetical protein Vasopressin receptor   425 aa 370 aa 24.3 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Oxytocin receptor   388 aa 327 aa 19.3 %
Onchocerca volvulus Oxytocin receptor   388 aa 327 aa 23.9 %
Onchocerca volvulus Vasopressin receptor   425 aa 392 aa 21.9 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Oxytocin receptor   388 aa 323 aa 21.7 %
Echinococcus multilocularis orexin receptor type 2 Oxytocin receptor   388 aa 332 aa 23.2 %
Echinococcus multilocularis neuropeptide receptor Oxytocin receptor   388 aa 324 aa 21.6 %
Echinococcus multilocularis allatostatin A receptor Oxytocin receptor   388 aa 311 aa 21.9 %
Onchocerca volvulus Phospholipase d-related homolog Oxytocin receptor   388 aa 330 aa 20.0 %
Echinococcus granulosus neuropeptide receptor Oxytocin receptor   388 aa 324 aa 21.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0052 0.0393 0.0393
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0264 0.484 0.4938
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0047 0.0293 0.3785
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.007 0.0773 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Echinococcus multilocularis nervana 2 0.0264 0.484 0.4938
Echinococcus granulosus calcium transporting atpase 0.0052 0.0393 0.0109
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.007 0.0773 0.0522
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0487 0.9501 1
Leishmania major cAMP-specific phosphodiesterase, putative 0.007 0.0773 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0264 0.484 0.4938
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0047 0.0293 0.3785
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.0264 0.484 0.4938
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Leishmania major hypothetical protein, conserved 0.007 0.0773 1
Loa Loa (eye worm) hypothetical protein 0.0441 0.854 0.854
Schistosoma mansoni sodium / potassium ATPase beta chain 0.0264 0.484 0.4938
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.007 0.0773 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.1519 0.1519
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.007 0.0773 0.0522
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0487 0.9501 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.2154 0.2154
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.007 0.0773 0.0773
Leishmania major hypothetical protein, conserved 0.007 0.0773 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.007 0.0773 0.0522
Toxoplasma gondii P-type ATPase4, putative 0.0052 0.0393 0.0109
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.0136 0.2154 0.2021
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.007 0.0773 0.0522
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.007 0.0773 0.0773
Loa Loa (eye worm) hypothetical protein 0.007 0.0773 0.0773
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.007 0.0773 0.0522
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0773 1
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.007 0.0773 0.0522
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0052 0.0393 0.5078
Echinococcus granulosus nervana 2 0.0264 0.484 0.4938
Echinococcus multilocularis plasma membrane calcium transporting ATPase 0.0052 0.0393 0.0109
Echinococcus granulosus nervana 2 0.0264 0.484 0.4938
Brugia malayi Membrane calcium atpase protein 3 0.0052 0.0393 0.0393
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.007 0.0773 1
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.007 0.0773 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.007 0.0773 0.0522
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0052 0.0393 0.0109
Echinococcus multilocularis Ca2+ transporting ATPase plasma membrane 0.0052 0.0393 0.0109
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0773 1
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0773 1
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0052 0.0393 0.0109
Onchocerca volvulus 0.0264 0.484 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.007 0.0773 1
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0052 0.0393 0.0109
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.007 0.0773 0.0522
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0052 0.0393 0.208
Leishmania major calcium-transporting ATPase, putative 0.0052 0.0393 0.208
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0052 0.0393 0.0109
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0417 0.8041 0.8414
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0136 0.2154 0.2154
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.007 0.0773 0.0522
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.0112 0.1661 0.5
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0052 0.0393 0.5078
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0773 0.0773
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0047 0.0293 0.3785
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0487 0.9501 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.007 0.0773 0.0522
Echinococcus multilocularis nervana 2 0.0264 0.484 0.4938
Loa Loa (eye worm) hypothetical protein 0.0091 0.1216 0.1216
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.007 0.0773 0.0522
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.007 0.0773 0.0522
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0264 0.484 0.4938
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.007 0.0773 0.0522
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.007 0.0773 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.007 0.0773 0.0522
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0264 0.484 0.4938
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.007 0.0773 1
Echinococcus multilocularis calcium transporting atpase 0.0052 0.0393 0.0109
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0052 0.0393 0.0109
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0136 0.2154 0.2021
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.007 0.0773 0.0522
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0417 0.8041 0.8041
Plasmodium falciparum cGMP-specific phosphodiesterase 0.007 0.0773 1
Leishmania major calcium motive p-type ATPase, putative 0.0052 0.0393 0.208
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0773 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.007 0.0773 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0487 0.9501 1
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.007 0.0773 0.0522
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0052 0.0393 1
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0052 0.0393 0.0109
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.007 0.0773 0.0522
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.007 0.0773 0.0522
Plasmodium falciparum cGMP-specific phosphodiesterase 0.007 0.0773 1
Loa Loa (eye worm) hypothetical protein 0.0264 0.484 0.484
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.007 0.0773 0.0522
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0052 0.0393 0.0109
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0117 0.1761 0.1761
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.007 0.0773 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0264 0.484 0.4938
Giardia lamblia Hypothetical protein 0.007 0.0773 0.0522
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0773 1
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.0264 0.484 0.4938
Echinococcus multilocularis nervana 2 0.0264 0.484 0.4938
Schistosoma mansoni calcium-transporting atpase 2 (atpase 2) 0.0052 0.0393 0.0109
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0264 0.484 0.4938
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0487 0.9501 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.007 0.0773 0.0773
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.007 0.0773 0.0522
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0773 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.007 0.0773 0.0522
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Echinococcus multilocularis nervana 2 0.0264 0.484 0.4938
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0052 0.0393 0.5078
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0417 0.8041 0.8041
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.007 0.0773 0.0522
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0773 1
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0136 0.2154 0.2021
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0417 0.8041 0.8414
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0052 0.0393 0.0109
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.007 0.0773 0.0522
Plasmodium vivax phosphodiesterase gamma, putative 0.007 0.0773 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.007 0.0773 0.0522
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.007 0.0773 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.007 0.0773 0.0773
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0487 0.9501 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Giardia lamblia hypothetical protein 0.007 0.0773 0.0522
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.007 0.0773 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.007 0.0773 0.0522
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.007 0.0773 0.0522
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.007 0.0773 0.0522
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.007 0.0773 0.0522
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.007 0.0773 0.0522
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.007 0.0773 0.0522
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.007 0.0773 0.0773
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0047 0.0293 0.3785
Onchocerca volvulus 0.0264 0.484 1
Echinococcus granulosus nervana 2 0.0264 0.484 0.4938
Leishmania major P-type ATPase, putative 0.0052 0.0393 0.208
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.007 0.0773 0.0522
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0131 0.2054 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.007 0.0773 0.0522
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Plasmodium falciparum phosphodiesterase gamma, putative 0.007 0.0773 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0293 0.0293
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0773 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.007 0.0773 0.0522
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.007 0.0773 1
Trypanosoma brucei hypothetical protein, conserved 0.007 0.0773 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.007 0.0773 0.0522
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0773 1
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.007 0.0773 1
Loa Loa (eye worm) hypothetical protein 0.051 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.007 0.0773 0.0522
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0264 0.484 0.4938
Plasmodium falciparum phosphodiesterase delta, putative 0.007 0.0773 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0047 0.0293 0.3785
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.007 0.0773 0.0522
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.007 0.0773 0.0773
Loa Loa (eye worm) hypothetical protein 0.0487 0.9501 0.9501
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0117 0.1761 0.1761
Trypanosoma brucei calcium-translocating P-type ATPase 0.0052 0.0393 0.5078
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0487 0.9501 1
Echinococcus granulosus Na:K ATPase alpha subunit 0.0136 0.2154 0.2021
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Loa Loa (eye worm) PDE1B protein 0.007 0.0773 0.0773
Echinococcus granulosus plasma membrane calcium transporting ATPase 0.0052 0.0393 0.0109
Echinococcus granulosus Ca2 transporting ATPase plasma membrane 0.0052 0.0393 0.0109
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.007 0.0773 0.0522
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0264 0.484 0.4938
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0052 0.0393 0.208
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0264 0.484 0.4938
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0052 0.0393 0.0109
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0136 0.2154 0.2021
Trypanosoma brucei cAMP-specific phosphodiesterase 0.007 0.0773 1
Loa Loa (eye worm) hypothetical protein 0.0264 0.484 0.484
Brugia malayi Na,K-ATPase alpha subunit 0.0136 0.2154 0.2154
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.007 0.0773 1
Schistosoma mansoni transmemberane protein 0.0264 0.484 0.4938
Echinococcus granulosus nervana 2 0.0264 0.484 0.4938
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.1074 0.1074
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.007 0.0773 1
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.007 0.0773 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.007 0.0773 0.0522
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0052 0.0393 0.0109
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.007 0.0773 0.0522
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0047 0.0293 0.3785
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.007 0.0773 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.2 uM Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue ChEMBL. 1331449
IC50 (binding) = 1.2 uM Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue ChEMBL. 1331449
IC50 (binding) > 10 uM Half-maximal inhibition of binding of [3H]-vasopressin to vaspressin receptor 1 in rat liver ChEMBL. 1331449
IC50 (binding) > 10 uM Half-maximal inhibition of binding of [3H]- vasopressin to the vasopressin receptor 2 in rat kidney ChEMBL. 1331449
IC50 (binding) > 10 uM Half-maximal inhibition of binding of [3H]-vasopressin to vaspressin receptor 1 in rat liver ChEMBL. 1331449
IC50 (binding) > 10 uM Half-maximal inhibition of binding of [3H]- vasopressin to the vasopressin receptor 2 in rat kidney ChEMBL. 1331449

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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