Detailed information for compound 60659

Basic information

Technical information
  • TDR Targets ID: 60659
  • Name: Pizotyline
  • MW: 295.442 | Formula: C19H21NS
  • H donors: 0 H acceptors: 0 LogP: 3.78 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1
  • InChi: 1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3
  • InChiKey: FIADGNVRKBPQEU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 15574-96-6
  • 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methylpiperidine
  • D05523
  • Pizotifen (INN)
  • Pizotyline (USAN)
  • Sandomigran (TN)
  • PDSP1_001602
  • PDSP2_001586
  • BPBio1_001391
  • BC-105
  • Pizotylline
  • Sanmigran
  • Sanomigran
  • 4-(9,10-Dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-1-methylpiperidine
  • BC 105
  • BRN 0753534
  • EINECS 239-632-9
  • Litec
  • Piperidine, 4-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-1-methyl-
  • Pizotifen
  • Pizotifene [INN-French]
  • Pizotifeno [INN-Spanish]
  • Pizotifenum [INN-Latin]
  • Pizotyline [USAN]
  • Sandomigran
  • Sandomygran
  • Oprea1_684518
  • NCGC00163169-01
  • Piperidine, 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methyl-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dopamine receptor D2 Starlite/ChEMBL References
Homo sapiens jun proto-oncogene Starlite/ChEMBL No references
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled Starlite/ChEMBL References
Homo sapiens cholinergic receptor, muscarinic 1 Starlite/ChEMBL References
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 2B, G protein-coupled Starlite/ChEMBL References
Homo sapiens nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 Starlite/ChEMBL No references
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled Starlite/ChEMBL References
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 7, adenylate cyclase-coupled Starlite/ChEMBL References
Homo sapiens androgen receptor Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus Basic leucine zipper bZIP transcription factor Get druggable targets OG5_131442 All targets in OG5_131442
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis biogenic amine (5HT) receptor Get druggable targets OG5_133074 All targets in OG5_133074
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131442 All targets in OG5_131442
Brugia malayi bZIP transcription factor family protein Get druggable targets OG5_131442 All targets in OG5_131442
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Serotonin receptor Get druggable targets OG5_135430 All targets in OG5_135430
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus biogenic amine 5HT receptor Get druggable targets OG5_133074 All targets in OG5_133074
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus jun protein Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus hypothetical protein Get druggable targets OG5_144688 All targets in OG5_144688
Echinococcus multilocularis jun protein Get druggable targets OG5_131442 All targets in OG5_131442
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis conserved hypothetical protein Get druggable targets OG5_144688 All targets in OG5_144688
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni biogenic amine (5HT) receptor Get druggable targets OG5_133074 All targets in OG5_133074
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Onchocerca volvulus 0.0046 0.034 0.127
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0101 0.1009 0.103
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Onchocerca volvulus 0.0046 0.034 0.127
Leishmania major protein-tyrosine phosphatase 1-like protein 0.0046 0.034 1
Loa Loa (eye worm) hypothetical protein 0.0226 0.25 0.5423
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0327 0.0327
Schistosoma mansoni protein tyrosine phosphatase 0.0046 0.034 0.0623
Schistosoma mansoni hypothetical protein 0.0082 0.0781 0.1432
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0401 0.461 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0001 0.0002
Onchocerca volvulus 0.0046 0.034 0.127
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0001 0.0002
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Loa Loa (eye worm) inositol-1 0.0045 0.0327 0.0709
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Schistosoma mansoni lamin 0.0033 0.0182 0.0335
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0046 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0099 0.0975 0.2116
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0046 0.034 0.034
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0046 0.034 0.0347
Giardia lamblia Protein tyrosine phosphatase 0.0046 0.034 0.5
Echinococcus granulosus intermediate filament protein 0.0033 0.0182 0.0182
Schistosoma mansoni lamin 0.0033 0.0182 0.0335
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0327 0.0334
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0271 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0046 0.034 0.0347
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0046 0.034 1
Brugia malayi Serotonin receptor 0.0573 0.6666 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0472 0.5454 0.5454
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0552 0.642 0.6556
Onchocerca volvulus 0.0033 0.0182 0.0683
Schistosoma mansoni protein-tyrosine phosphatase non-receptor type nt5 0.0046 0.034 0.0623
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0046 0.034 0.0737
Brugia malayi hypothetical protein 0.0046 0.034 0.051
Onchocerca volvulus 0.0033 0.0182 0.0683
Onchocerca volvulus 0.024 0.2674 1
Brugia malayi Protein-tyrosine phosphatase 0.0046 0.034 0.051
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0046 0.034 0.0347
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0401 0.461 0.461
Echinococcus multilocularis receptor type tyrosine protein phosphatase H 0.0046 0.034 0.0347
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0046 0.034 0.0737
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0046 0.034 0.0347
Brugia malayi Death domain containing protein 0.0017 0.000000012082 0.000000018124
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.006 0.0513 0.0524
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0552 0.642 0.642
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.006 0.0513 0.0524
Onchocerca volvulus 0.0046 0.034 0.127
Onchocerca volvulus 0.0046 0.034 0.127
Echinococcus granulosus jun protein 0.0101 0.1009 0.1009
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.006 0.0513 0.0524
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0567 0.6594 0.6594
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.006 0.0513 0.0941
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Onchocerca volvulus 0.0046 0.034 0.127
Onchocerca volvulus 0.008 0.0747 0.2795
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0046 0.034 1
Echinococcus granulosus protein tyrosine phosphatase n9 0.0046 0.034 0.034
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0046 0.034 0.0347
Brugia malayi hypothetical protein 0.008 0.0747 0.1121
Onchocerca volvulus 0.0046 0.034 0.127
Loa Loa (eye worm) hypothetical protein 0.0032 0.0175 0.038
Echinococcus multilocularis protein tyrosine phosphatase n9 0.0046 0.034 0.0347
Loa Loa (eye worm) hypothetical protein 0.0018 0.0002 0.0004
Onchocerca volvulus 0.0046 0.034 0.127
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0046 0.034 0.0623
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0046 0.034 0.0737
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0046 0.034 0.0737
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.006 0.0513 0.0524
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0327 0.5
Echinococcus granulosus Ankyrin 0.0018 0.0002 0.0002
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0017 0.000000012082 0.000000012082
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0017 0.000000012082 0.000000012337
Onchocerca volvulus 4.1 G protein, putative homolog 0.0046 0.034 0.127
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Echinococcus multilocularis musashi 0.0033 0.0182 0.0186
Brugia malayi hypothetical protein 0.0046 0.034 0.051
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.006 0.0513 0.0941
Echinococcus multilocularis hypothetical protein 0.0046 0.034 0.0347
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0046 0.034 0.0347
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0046 0.034 0.034
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0046 0.034 0.0623
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0046 0.034 0.051
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0472 0.5454 0.5569
Brugia malayi Protein kinase domain containing protein 0.0017 0.000000012082 0.000000018124
Schistosoma mansoni intermediate filament proteins 0.0033 0.0182 0.0335
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Schistosoma mansoni non-receptor protein-tyrosine phosphatase 0.0046 0.034 0.0623
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0046 0.034 0.0737
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.006 0.0513 0.1114
Echinococcus multilocularis jun protein 0.0101 0.1009 0.103
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0046 0.034 0.0737
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0046 0.034 1
Echinococcus granulosus lamin 0.0033 0.0182 0.0182
Loa Loa (eye worm) hypothetical protein 0.0226 0.25 0.5423
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0046 0.034 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.006 0.0513 0.0513
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0018 0.0002 0.0003
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0046 0.034 0.0737
Echinococcus multilocularis lamin 0.0033 0.0182 0.0186
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.006 0.0513 0.0513
Brugia malayi bZIP transcription factor family protein 0.0101 0.1009 0.1513
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0101 0.1009 0.1009
Brugia malayi hypothetical protein 0.0046 0.034 0.051
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.006 0.0513 0.0524
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0182 0.0396
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Echinococcus multilocularis conserved hypothetical protein 0.0833 0.9793 1
Brugia malayi hypothetical protein 0.0046 0.034 0.051
Schistosoma mansoni protein-tyrosine phosphatase n9 0.0046 0.034 0.0623
Schistosoma mansoni rgs-gaip interacting protein gipc 0.0046 0.034 0.0623
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.006 0.0513 0.0524
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Onchocerca volvulus 0.0046 0.034 0.127
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Brugia malayi Dual specificity protein phosphatase CDC14B 0.0046 0.034 0.051
Onchocerca volvulus 0.0046 0.034 0.127
Echinococcus multilocularis Ankyrin 0.0018 0.0002 0.0002
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Brugia malayi intermediate filament protein 0.0033 0.0182 0.0274
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0046 0.034 0.034
Loa Loa (eye worm) protein tyrosine phosphatase 0.0046 0.034 0.0737
Brugia malayi Uncoordinated protein 44 0.0017 0.000000012082 0.000000018124
Brugia malayi Inositol-1 0.0045 0.0327 0.049
Onchocerca volvulus 0.0046 0.034 0.127
Loa Loa (eye worm) hypothetical protein 0.0226 0.25 0.5423
Schistosoma mansoni biogenic amine (5HT) receptor 0.0472 0.5454 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0182 0.0274
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0046 0.034 0.0347
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Loa Loa (eye worm) protein-tyrosine phosphatase 1 0.0046 0.034 0.0737
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0327 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0182 0.0396
Echinococcus granulosus lamin dm0 0.0033 0.0182 0.0182
Onchocerca volvulus 0.0046 0.034 0.127
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.006 0.0513 0.0513
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0046 0.034 0.0737
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0046 0.034 0.0623
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0046 0.034 0.034
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0046 0.034 0.0737
Brugia malayi Protein-tyrosine phosphatase 1 0.0046 0.034 0.051
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0046 0.034 0.0737
Schistosoma mansoni protein tyrosine phosphatase 0.0046 0.034 0.0623
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0046 0.034 0.034
Schistosoma mansoni inositol monophosphatase 0.0045 0.0327 0.0599
Schistosoma mansoni jun-related protein 0.0082 0.0781 0.1432
Schistosoma mansoni pcd6 interacting protein-related 0.0046 0.034 0.0623
Loa Loa (eye worm) hypothetical protein 0.0271 0.3048 0.6612
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0046 0.034 0.0347
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0046 0.034 0.034
Brugia malayi hypothetical protein 0.0046 0.034 0.051
Schistosoma mansoni receptor protein tyrosine phosphatase 0.006 0.0513 0.0941
Onchocerca volvulus 0.0046 0.034 0.127
Loa Loa (eye worm) hypothetical protein 0.0033 0.0182 0.0396
Trypanosoma brucei protein tyrosine phosphatase 1 0.0046 0.034 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0046 0.034 0.0737
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0046 0.034 0.0737
Onchocerca volvulus 0.0046 0.034 0.127
Loa Loa (eye worm) dual specificity protein phosphatase CDC14B 0.0046 0.034 0.0737
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0046 0.034 0.0623
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0046 0.034 0.034
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0046 0.034 0.0347
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0327 0.5
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0046 0.034 0.034
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0046 0.034 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.0327 0.0599
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0046 0.034 0.0737
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0089 0.0859 0.0877
Onchocerca volvulus 0.0046 0.034 0.127
Brugia malayi Protein-tyrosine phosphatase 0.0286 0.3222 0.4833
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Onchocerca volvulus 0.0046 0.034 0.127
Schistosoma mansoni protein tyrosine phosphatase 0.006 0.0513 0.0941
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0046 0.034 0.0347
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0271 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Onchocerca volvulus 0.0046 0.034 0.127
Schistosoma mansoni receptor protein tyrosine phosphatase r (pcptp1) 0.0046 0.034 0.0623
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0046 0.034 0.034
Onchocerca volvulus 0.0046 0.034 0.127
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0401 0.461 0.8452
Onchocerca volvulus 0.0046 0.034 0.127
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0046 0.034 0.0347
Onchocerca volvulus 0.0046 0.034 0.127
Loa Loa (eye worm) protein-tyrosine-phosphatase 0.0046 0.034 0.0737
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.006 0.0513 0.0941
Onchocerca volvulus 0.0046 0.034 0.127
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0046 0.034 0.0737
Schistosoma mansoni ankyrin 23/unc44 0.0017 0.000000012082 0.000000022153
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0046 0.034 0.034
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0401 0.461 0.4707
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0401 0.461 0.6915
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Leishmania major tyrosine specific protein phosphatase, putative 0.0046 0.034 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0046 0.034 0.0347
Echinococcus multilocularis 0.0046 0.034 0.0347
Trichomonas vaginalis pten, drome, putative 0.0046 0.034 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0046 0.034 0.034
Onchocerca volvulus 0.0046 0.034 0.127
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Echinococcus multilocularis lamin dm0 0.0033 0.0182 0.0186
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Onchocerca volvulus 0.0046 0.034 0.127
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Echinococcus granulosus nuclear factor of activated T cells 5 0.0089 0.0859 0.0859
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0046 0.034 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.034 0.0737
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.006 0.0513 0.0941
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0046 0.034 0.051

Activities

Activity type Activity value Assay description Source Reference
Binding energy (ADMET) = 13 kCal mol-1 Binding energy of the compound was determined by using the equation deltaG obsd = -RT ln KD ChEMBL. 6094812
ED50 (functional) = 0.015 mg kg-1 5 HTP (5-hydroxytryptophan) antagonism in mouse 0.5 h after subcutaneous administration (0.003-0.1 dose range). ChEMBL. 6600791
ED50 (functional) = 0.015 mg kg-1 5 HTP (5-hydroxytryptophan) antagonism in mouse 0.5 h after subcutaneous administration (0.003-0.1 dose range). ChEMBL. 6600791
IC50 (functional) = 1.86 uM DNDI: Malaria in Vitro, 72 hour ChEMBL. No reference
IC50 (functional) = 3.99 uM DNDI: HAT in Vitro, 72 hour ChEMBL. No reference
IC50 (functional) = 30.63 uM DNDI: Chagas in Vitro, 96 hour ChEMBL. No reference
IC50 (functional) > 33.85 uM DNDI: Leish (macro) in Vitro, 96 hour ChEMBL. No reference
IC50 (functional) = 215.03 uM DNDI: Leish (axenic) in Vitro, 72 hour ChEMBL. No reference
Ki (binding) = 1.4 nM Binding affinity to 5-HT2C receptor (unknown origin) ChEMBL. 24189186
Ki (binding) = 2 nM Binding affinity to muscarinic M1 receptor (unknown origin) ChEMBL. 24189186
Ki (binding) = 2 nM Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by liquid scintillation counting analysis ChEMBL. 24189186
Ki (binding) = 2.4 nM Binding affinity to dopamine D2 receptor (unknown origin) ChEMBL. 24189186
Ki (binding) = 7.5 nM Binding affinity to 5-HT2A receptor (unknown origin) ChEMBL. 24189186
Ki (binding) = 25 nM Displacement of [3H]5-HT from human 5-HT7 receptor expressed in CHO cells by liquid scintillation counting analysis ChEMBL. 24189186
Potency (functional) 0.9521 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.0107 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 13.4481 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.1014 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 20.3148 uM PUBCHEM_BIOASSAY: S16 Schwann cell PMP22 intronic element firefly luciferase assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 33.4889 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Trypanosoma brucei gambiense

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

5 literature references were collected for this gene.

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