Detailed information for compound 171589

Basic information

Technical information
  • TDR Targets ID: 171589
  • Name: 4-methyl-2-(pyridin-3-ylmethylamino)benzo[e][ 1,3]benzothiazol-5-ol
  • MW: 321.396 | Formula: C18H15N3OS
  • H donors: 2 H acceptors: 3 LogP: 4.38 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1c(C)c2sc(nc2c2c1cccc2)NCc1cccnc1
  • InChi: 1S/C18H15N3OS/c1-11-16(22)14-7-3-2-6-13(14)15-17(11)23-18(21-15)20-10-12-5-4-8-19-9-12/h2-9,22H,10H2,1H3,(H,20,21)
  • InChiKey: VTNPGTRINXGCBA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-methyl-2-(3-pyridylmethylamino)benzo[e][1,3]benzothiazol-5-ol
  • 4-methyl-2-(3-pyridylmethylamino)-5-benzo[e][1,3]benzothiazolol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Thromboxane-A synthase Starlite/ChEMBL References
Homo sapiens prostaglandin-endoperoxide synthase 1 (prostaglandin G/H synthase and cyclooxygenase) References
Rattus norvegicus Arachidonate 5-lipoxygenase Starlite/ChEMBL References
Homo sapiens prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania mexicana cytochrome p450-like protein Thromboxane-A synthase   533 aa 469 aa 22.0 %
Candida albicans cytochrome P450 56 Thromboxane-A synthase   533 aa 507 aa 22.9 %
Trypanosoma congolense cytochrome P450, putative Thromboxane-A synthase   533 aa 453 aa 20.3 %
Leishmania major cytochrome p450-like protein Thromboxane-A synthase   533 aa 468 aa 22.0 %
Trypanosoma brucei gambiense cytochrome P450, putative Thromboxane-A synthase   533 aa 450 aa 20.9 %
Leishmania infantum cytochrome p450-like protein Thromboxane-A synthase   533 aa 473 aa 22.2 %
Onchocerca volvulus Thromboxane-A synthase   533 aa 507 aa 21.7 %
Leishmania braziliensis cytochrome p450-like protein Thromboxane-A synthase   533 aa 477 aa 20.3 %
Dictyostelium discoideum cytochrome P450 family protein Thromboxane-A synthase   533 aa 544 aa 19.9 %
Loa Loa (eye worm) cytochrome P450 family protein Thromboxane-A synthase   533 aa 480 aa 20.8 %
Dictyostelium discoideum cytochrome P450 family protein Thromboxane-A synthase   533 aa 456 aa 22.4 %
Trypanosoma brucei cytochrome P450, putative Thromboxane-A synthase   533 aa 450 aa 20.9 %
Trypanosoma cruzi cytochrome P450, putative Thromboxane-A synthase   533 aa 450 aa 20.7 %
Dictyostelium discoideum cytochrome P450 family protein Thromboxane-A synthase   533 aa 530 aa 22.6 %
Leishmania donovani cytochrome p450-like protein Thromboxane-A synthase   533 aa 473 aa 22.2 %
Trypanosoma cruzi cytochrome P450, putative Thromboxane-A synthase   533 aa 448 aa 20.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0063 0.01 1
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.1151 0.2793 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.01 0.01
Trypanosoma brucei cAMP-specific phosphodiesterase 0.2533 0.6215 1
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0618 0.1473 0.1473
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0017 0.002
Echinococcus multilocularis aryl hydrocarbon receptor 0.003 0.0017 0.0015
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.0155 1
Leishmania major hypothetical protein, conserved 0.0054 0.0077 0.0097
Trichomonas vaginalis guanylate cyclase, putative 0.003 0.0017 0.002
Trichomonas vaginalis retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase, putative 0.0353 0.0816 0.1279
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.2533 0.6215 0.9788
Loa Loa (eye worm) hypothetical protein 0.1726 0.4215 0.4215
Schistosoma mansoni peroxidasin 0.0063 0.01 0.0098
Leishmania major hypothetical protein, conserved 0.0071 0.0119 0.0165
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0664 0.1587 0.2494
Trichomonas vaginalis conserved hypothetical protein 0.1923 0.4705 0.7408
Brugia malayi hypothetical protein 0.0063 0.01 0.0098
Leishmania major hypothetical protein, conserved 0.061 0.1453 0.2317
Giardia lamblia Hypothetical protein 0.061 0.1453 0.4777
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0056 0.0082 0.0026
Schistosoma mansoni hypothetical protein 0.0123 0.0246 0.0245
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.1723 0.4208 0.6626
Onchocerca volvulus Peroxidasin homolog 0.0063 0.01 1
Plasmodium falciparum cGMP-specific phosphodiesterase 0.061 0.1453 0.745
Schistosoma mansoni multidrug resistance protein 0.0044 0.0053 0.0051
Trypanosoma cruzi hypothetical protein, conserved 0.061 0.1453 0.2317
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.061 0.1453 0.1451
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.061 0.1453 0.2272
Onchocerca volvulus Dual oxidase homolog 0.0063 0.01 1
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.1722 0.4207 0.4206
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.061 0.1453 0.5198
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0017 0.002
Loa Loa (eye worm) hypothetical protein 0.0063 0.01 0.01
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.061 0.1453 0.2283
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0044 0.0053 0.0058
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2533 0.6215 0.9788
Brugia malayi Probable ClpP-like protease 0.0086 0.0155 0.0154
Plasmodium falciparum GAF domain-related protein, putative 0.081 0.1949 1
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.4062 1 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.2533 0.6215 0.9788
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.0295 0.0294
Loa Loa (eye worm) multidrug resistance-associated protein 0.0044 0.0053 0.0053
Brugia malayi ABC transporter transmembrane region family protein 0.0044 0.0053 0.0051
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.061 0.1453 0.2283
Echinococcus multilocularis bifunctional protein NCOAT 0.4062 1 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1723 0.4208 0.6626
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.2533 0.6215 0.9788
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.061 0.1453 0.5198
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0865 0.2083 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.01 0.01
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0044 0.0053 0.0053
Schistosoma mansoni hypothetical protein 0.0399 0.0932 0.093
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.01 0.01
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.003 0.0017 0.0015
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0044 0.0053 0.0058
Echinococcus granulosus peptidase Clp S14 family 0.0056 0.0082 0.0081
Schistosoma mansoni multidrug resistance protein 0.0044 0.0053 0.0051
Loa Loa (eye worm) hypothetical protein 0.0063 0.01 0.01
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.061 0.1453 0.2283
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0764 0.1835 0.1833
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.061 0.1453 0.1451
Loa Loa (eye worm) hypothetical protein 0.003 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.1112 0.2697 0.2697
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.061 0.1453 0.2272
Entamoeba histolytica ATP-binding cassette protein, putative 0.0044 0.0053 0.5
Echinococcus multilocularis multidrug resistance associated protein 1 0.0044 0.0053 0.0051
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.061 0.1453 0.1451
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.0399 0.0932 0.0932
Echinococcus granulosus peroxidasin 0.0063 0.01 0.0098
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0027 0.0009 0.0007
Onchocerca volvulus Chorion peroxidase homolog 0.0063 0.01 1
Echinococcus granulosus aryl hydrocarbon receptor 0.003 0.0017 0.0015
Loa Loa (eye worm) hypothetical protein 0.0024 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.2575 0.6319 0.6319
Schistosoma mansoni peptidase Clp (S14 family) 0.0086 0.0155 0.0154
Loa Loa (eye worm) hypothetical protein 0.0199 0.0436 0.0436
Brugia malayi multidrug resistance related protein 1 0.0044 0.0053 0.0051
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2533 0.6215 0.9788
Brugia malayi Animal haem peroxidase family protein 0.0063 0.01 0.0098
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.0155 0.0298
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.2577 0.6324 0.6323
Onchocerca volvulus 0.0032 0.0021 0.1955
Trichomonas vaginalis adenylate cyclase, putative 0.003 0.0017 0.002
Loa Loa (eye worm) hypothetical protein 0.0063 0.01 0.01
Mycobacterium ulcerans putative regulatory protein 0.081 0.1949 0.9303
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.2533 0.6215 0.9788
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0056 0.0082 0.0342
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0086 0.0155 1
Brugia malayi hypothetical protein 0.0353 0.0816 0.0814
Loa Loa (eye worm) hypothetical protein 0.0353 0.0816 0.0816
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0021 0.0021
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.061 0.1453 0.3064
Trypanosoma brucei cAMP-specific phosphodiesterase 0.2533 0.6215 1
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0044 0.0053 0.0058
Schistosoma mansoni cpg binding protein 0.0033 0.0025 0.0024
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0044 0.0053 0.0058
Loa Loa (eye worm) hypothetical protein 0.0044 0.0053 0.0053
Giardia lamblia Hypothetical protein 0.0071 0.0119 0.0226
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.061 0.1453 0.2283
Schistosoma mansoni Hyaluronidase 0.4062 1 1
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.003 0.0017 0.002
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.142 0.3459 0.5445
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.1417 0.3452 0.3451
Loa Loa (eye worm) hypothetical protein 0.0071 0.0119 0.0119
Brugia malayi Animal haem peroxidase family protein 0.0063 0.01 0.0098
Plasmodium vivax phosphodiesterase gamma, putative 0.061 0.1453 0.5198
Loa Loa (eye worm) hypothetical protein 0.0199 0.0436 0.0436
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0086 0.0155 0.0722
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.2533 0.6215 0.9788
Echinococcus granulosus multidrug resistance associated protein 1 0.0044 0.0053 0.0051
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.061 0.1453 0.2283
Schistosoma mansoni hypothetical protein 0.045 0.1056 0.1054
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.003 0.0016 0.0074
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0056 0.0082 0.0026
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.0015 0.0013
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0809 0.1946 0.1945
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.0091 0.0159
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.2533 0.6215 0.9788
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.1228 0.2983 0.2982
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2533 0.6215 0.9788
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.1722 0.4207 0.4206
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.1228 0.2983 0.2982
Loa Loa (eye worm) hypothetical protein 0.0302 0.069 0.069
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.003 0.0017 0.002
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.2577 0.6324 0.6323
Onchocerca volvulus 0.0063 0.01 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.1228 0.2983 0.2982
Toxoplasma gondii GAF domain-containing protein 0.081 0.1949 0.4123
Loa Loa (eye worm) hypothetical protein 0.0044 0.0053 0.0053
Trypanosoma brucei UNC119 0.0071 0.0119 0.0107
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.01 0.01
Trypanosoma cruzi UNC119 0.0071 0.0119 0.0165
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0086 0.0155 0.079
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.2577 0.6324 0.6323
Trypanosoma cruzi hypothetical protein, conserved 0.061 0.1453 0.2317
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.2533 0.6215 0.9788
Leishmania major p-glycoprotein e 0.0044 0.0053 0.0058
Onchocerca volvulus Peroxidase homolog 0.0063 0.01 1
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.1417 0.3452 0.3451
Onchocerca volvulus Peroxidasin homolog 0.0063 0.01 1
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.01 0.01
Schistosoma mansoni peroxidasin 0.0063 0.01 0.0098
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.061 0.1453 0.3064
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.0054 0.0077 0.0097
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.061 0.1453 0.3064
Loa Loa (eye worm) hypothetical protein 0.0809 0.1946 0.1946
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.1151 0.2793 0.4479
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.061 0.1453 0.3064
Plasmodium falciparum cGMP-specific phosphodiesterase 0.061 0.1453 0.745
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0612 0.1457 0.3073
Brugia malayi Animal haem peroxidase family protein 0.0063 0.01 0.0098
Toxoplasma gondii hypothetical protein 0.1923 0.4705 1
Brugia malayi indoleamine 2,3-dioxygenase 0.0399 0.0932 0.093
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.061 0.1453 0.3064
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2533 0.6215 0.9788
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0664 0.1587 0.2494
Brugia malayi hypothetical protein 0.003 0.0017 0.0015
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.1228 0.2983 0.2982
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.061 0.1453 0.3064
Schistosoma mansoni single-minded 0.003 0.0017 0.0015
Schistosoma mansoni aryl hydrocarbon receptor 0.003 0.0017 0.0015
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.061 0.1453 0.1451
Loa Loa (eye worm) hypothetical protein 0.0063 0.01 0.01
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.2533 0.6215 1
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0017 0.002
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.081 0.1949 0.9331
Trichomonas vaginalis conserved hypothetical protein 0.2587 0.6349 1
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.061 0.1453 0.1451
Trichomonas vaginalis conserved hypothetical protein 0.1923 0.4705 0.7408
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.061 0.1453 0.3064
Echinococcus granulosus bifunctional protein NCOAT 0.4062 1 1
Schistosoma mansoni amine GPCR 0.0125 0.0252 0.0251
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.061 0.1453 0.3064
Brugia malayi hypothetical protein 0.0071 0.0119 0.0117
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.2533 0.6215 0.6214
Loa Loa (eye worm) hypothetical protein 0.0063 0.01 0.01
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0002 0.0002
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.1151 0.2793 0.4479
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.142 0.3459 0.5445
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.1151 0.2793 0.4479
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.1722 0.4207 0.4206
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.2533 0.6215 1
Schistosoma mansoni hypothetical protein 0.0123 0.0246 0.0245
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2533 0.6215 0.9788
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.061 0.1453 0.3064
Trichomonas vaginalis conserved hypothetical protein 0.061 0.1453 0.2283
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.1151 0.2793 0.5923
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2533 0.6215 0.9788
Trypanosoma cruzi UNC119 0.0071 0.0119 0.0165
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0027 0.0009 0.0007
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.061 0.1453 0.3064
Loa Loa (eye worm) hypothetical protein 0.0063 0.01 0.01
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.0054 0.0077 0.0097
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.003 0.0017 0.002
Entamoeba histolytica hypothetical protein 0.0044 0.0053 0.5
Trichomonas vaginalis conserved hypothetical protein 0.061 0.1453 0.2283
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.2533 0.6215 0.9788
Loa Loa (eye worm) hyaluronidase 0.4062 1 1
Schistosoma mansoni hypothetical protein 0.0399 0.0932 0.093
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.061 0.1453 0.2283
Loa Loa (eye worm) hypothetical protein 0.1228 0.2983 0.2983
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.2533 0.6215 0.9788
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0086 0.0155 0.0551
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.061 0.1453 0.2317
Loa Loa (eye worm) PDE1B protein 0.2577 0.6324 0.6324
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.2533 0.6215 0.9788
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2533 0.6215 0.9788
Entamoeba histolytica ATP-binding cassette protein, putative 0.0044 0.0053 0.5
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0764 0.1835 0.1833
Loa Loa (eye worm) hypothetical protein 0.003 0.0017 0.0017
Entamoeba histolytica ABC transporter, putative 0.0044 0.0053 0.5
Mycobacterium ulcerans putative regulatory protein 0.081 0.1949 0.9303
Brugia malayi Blistered cuticle protein 3 0.0063 0.01 0.0098
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2533 0.6215 0.9788
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.1151 0.2793 0.4447
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.01 0.01
Leishmania major pentamidine resistance protein 1 0.0044 0.0053 0.0058
Brugia malayi Peroxidasin 0.0063 0.01 0.0098
Schistosoma mansoni multidrug resistance protein 0.0044 0.0053 0.0051
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.061 0.1453 0.2317
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.0108 0.0107
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.003 0.0017 0.0015
Trypanosoma cruzi hypothetical protein, conserved 0.061 0.1453 0.2317
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.003 0.0017 0.002
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.1709 0.4175 0.4174
Giardia lamblia hypothetical protein 0.061 0.1453 0.4777
Leishmania major cAMP-specific phosphodiesterase, putative 0.061 0.1453 0.2317
Loa Loa (eye worm) hypothetical protein 0.0063 0.01 0.01
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0618 0.1473 0.1472
Loa Loa (eye worm) hypothetical protein 0.0063 0.01 0.01
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.3185 0.7829 0.7829
Plasmodium falciparum phosphodiesterase gamma, putative 0.061 0.1453 0.745
Loa Loa (eye worm) hypothetical protein 0.0063 0.01 0.01
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0809 0.1946 0.1945
Entamoeba histolytica multidrug resistance protein, putative 0.0044 0.0053 0.5
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.1151 0.2793 0.2792
Loa Loa (eye worm) hypothetical protein 0.0199 0.0436 0.0436
Loa Loa (eye worm) hypothetical protein 0.0063 0.01 0.01
Onchocerca volvulus 0.0063 0.01 1
Echinococcus multilocularis multidrug resistance associated protein 7 0.0044 0.0053 0.0051
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.061 0.1453 0.1451
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.061 0.1453 0.2272
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0809 0.1946 0.1946
Onchocerca volvulus Peroxidase homolog 0.0063 0.01 1
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.0399 0.0932 0.093
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.061 0.1453 0.2283
Onchocerca volvulus 0.003 0.0017 0.155
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.2587 0.6349 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.1228 0.2983 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0618 0.1473 0.1472
Plasmodium vivax hypothetical protein, conserved 0.081 0.1949 0.6977
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.061 0.1453 0.3064
Echinococcus multilocularis peptidase Clp (S14 family) 0.0056 0.0082 0.0081
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.2533 0.6215 0.6214
Echinococcus granulosus multidrug resistance associated protein 4 0.0044 0.0053 0.0051
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.123 0.2987 0.6337
Trypanosoma cruzi hypothetical protein, conserved 0.061 0.1453 0.2317
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0044 0.0053 0.0058
Loa Loa (eye worm) blistered cuticle protein 3 0.0063 0.01 0.01
Leishmania major protein kinase, putative 0.0033 0.0026 0.0014
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2533 0.6215 0.9788
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0764 0.1835 0.3879
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2587 0.6349 1
Plasmodium falciparum phosphodiesterase delta, putative 0.061 0.1453 0.745
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.061 0.1453 0.3064
Loa Loa (eye worm) hypothetical protein 0.0024 0.0002 0.0002
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.0015 0.0013
Loa Loa (eye worm) hypothetical protein 0.1709 0.4175 0.4175
Brugia malayi Animal haem peroxidase family protein 0.0063 0.01 0.0098
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.0399 0.0932 0.093
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0618 0.1473 0.1472
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.2587 0.6349 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.142 0.3459 0.5445
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1723 0.4208 0.6763
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0027 0.0009 0.0007
Trypanosoma brucei hypothetical protein, conserved 0.061 0.1453 0.2272
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.0295 0.0294
Schistosoma mansoni cpg binding protein 0.0032 0.0021 0.0019
Mycobacterium leprae Possible regulatory protein 0.003 0.0017 0.0004
Echinococcus granulosus cpg binding protein 0.0033 0.0025 0.0024
Brugia malayi CXXC zinc finger family protein 0.0032 0.0021 0.0019
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.2577 0.6324 0.6323
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.2533 0.6215 0.9788
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0764 0.1835 0.1833
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.061 0.1453 0.745
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0865 0.2083 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.2533 0.6215 0.9788
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.1151 0.2793 0.5923
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.0155 1
Schistosoma mansoni cpg binding protein 0.0033 0.0025 0.0024
Loa Loa (eye worm) hypothetical protein 0.0044 0.0053 0.0053
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.1709 0.4175 0.4174
Schistosoma mansoni multidrug resistance protein 0.0044 0.0053 0.0051
Trichomonas vaginalis conserved hypothetical protein 0.1923 0.4705 0.7408
Schistosoma mansoni lipoxygenase 0.01 0.0189 0.0188
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.003 0.0017 0.002
Leishmania major ABC-thiol transporter 0.0044 0.0053 0.0058
Toxoplasma gondii hypothetical protein 0.081 0.1949 0.4123
Schistosoma mansoni lipoxygenase 0.0142 0.0295 0.0294
Loa Loa (eye worm) hypothetical protein 0.0086 0.0155 0.0155
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0027 0.0009 0.0009
Trypanosoma cruzi multidrug resistance protein E, putative 0.0044 0.0053 0.0058
Echinococcus multilocularis peroxidasin 0.0063 0.01 0.0098
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.1228 0.2983 0.2982
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.2533 0.6215 0.9788
Echinococcus granulosus multidrug resistance associated protein 7 0.0044 0.0053 0.0051
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2533 0.6215 0.9788
Echinococcus multilocularis cpg binding protein 0.0033 0.0025 0.0024
Loa Loa (eye worm) hypothetical protein 0.3185 0.7829 0.7829
Echinococcus multilocularis dnaJ subfamily B 0.045 0.1056 0.1054
Toxoplasma gondii hypothetical protein 0.081 0.1949 0.4123
Entamoeba histolytica ATP-binding cassette protein, putative 0.0044 0.0053 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.2533 0.6215 0.9788
Trypanosoma cruzi hypothetical protein, conserved 0.061 0.1453 0.2317
Leishmania major hypothetical protein, conserved 0.061 0.1453 0.2317
Echinococcus multilocularis geminin 0.0123 0.0246 0.0245
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0764 0.1835 0.9413
Echinococcus granulosus dnaJ subfamily B 0.045 0.1056 0.1054
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.2533 0.6215 1
Trichomonas vaginalis guanylate cyclase, putative 0.003 0.0017 0.002
Entamoeba histolytica ATP-binding cassette protein, putative 0.0044 0.0053 0.5
Trypanosoma brucei GAF domain/TIP41-like family, putative 0.0054 0.0077 0.0039
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0086 0.0155 0.0154
Trypanosoma cruzi hypothetical protein 0.0044 0.0053 0.0058
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.061 0.1453 0.3064
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0044 0.0053 0.0078
Schistosoma mansoni retinal rod rhodopsin-sensitive cgmp 3'5'-cyclic phosphodiesterase 0.0353 0.0816 0.0814
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0086 0.0155 0.5
Echinococcus granulosus geminin 0.0123 0.0246 0.0245
Trypanosoma cruzi hypothetical protein, conserved 0.061 0.1453 0.2317
Trichomonas vaginalis conserved hypothetical protein 0.081 0.1949 0.3065
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0086 0.0155 0.0154
Loa Loa (eye worm) hypothetical protein 0.0063 0.01 0.01
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.061 0.1453 0.2283
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0044 0.0053 0.0058
Mycobacterium leprae conserved hypothetical protein 0.081 0.1949 1
Brugia malayi PAS domain containing protein 0.003 0.0017 0.0015
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.2533 0.6215 0.6214
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2533 0.6215 0.9788
Echinococcus multilocularis multidrug resistance associated protein 4 0.0044 0.0053 0.0051
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.1151 0.2793 0.2792
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.0155 0.0298
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.003 0.0016 0.0051
Brugia malayi Animal haem peroxidase family protein 0.0063 0.01 0.0098
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.003 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0063 0.01 0.01

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.6 uM Inhibitory activity against the production of leukotriene B4 (LTB4) in glycogen-induced peritoneal cells of rat ChEMBL. 7932529
IC50 (functional) = 1.6 uM Inhibitory activity against the production of leukotriene B4 (LTB4) in glycogen-induced peritoneal cells of rat ChEMBL. 7932529
IC50 (functional) = 4 uM Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat ChEMBL. 7932529
IC50 (functional) = 4 uM Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat ChEMBL. 7932529
IC50 (functional) = 5.5 uM Inhibitory activity against the production of prostaglandin E2 (PGE2) in glycogen-induced peritoneal cells of rat ChEMBL. 7932529
IC50 (functional) = 5.5 uM Inhibitory activity against the production of prostaglandin E2 (PGE2) in glycogen-induced peritoneal cells of rat ChEMBL. 7932529

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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