Detailed information for compound 1404949

Basic information

Technical information
  • TDR Targets ID: 1404949
  • Name: 5-[(2-chloro-6-fluorophenyl)methyl]-N-(2-morp holin-4-ylethyl)-6-oxobenzo[b][1,4]benzothiaz epine-3-carboxamide
  • MW: 526.022 | Formula: C27H25ClFN3O3S
  • H donors: 1 H acceptors: 2 LogP: 4.25 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1c(S2)cccc1)NCCN1CCOCC1
  • InChi: 1S/C27H25ClFN3O3S/c28-21-5-3-6-22(29)20(21)17-32-23-16-18(26(33)30-10-11-31-12-14-35-15-13-31)8-9-25(23)36-24-7-2-1-4-19(24)27(32)34/h1-9,16H,10-15,17H2,(H,30,33)
  • InChiKey: ZJWPCCAIGWMVOM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[(2-chloro-6-fluoro-phenyl)methyl]-N-(2-morpholinoethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide
  • 5-[(2-chloro-6-fluorophenyl)methyl]-N-(2-morpholinoethyl)-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide
  • 5-(2-chloro-6-fluoro-benzyl)-6-keto-N-(2-morpholinoethyl)benzo[b][1,4]benzothiazepine-3-carboxamide
  • 5-[(2-chloro-6-fluoro-phenyl)methyl]-N-(2-morpholin-4-ylethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide
  • MLS000871670
  • SMR000309189
  • 10-(2-chloro-6-fluorobenzyl)-N-(2-morpholin-4-ylethyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens snurportin 1 No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0031 0.0259 0.0259
Echinococcus granulosus plexin a4 0.0359 0.965 0.965
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0056 0.0968 0.112
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.829 1
Echinococcus multilocularis geminin 0.0205 0.5226 0.5226
Echinococcus granulosus exocyst complex component 2 0.0056 0.0968 0.0968
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5225 0.6284
Loa Loa (eye worm) hypothetical protein 0.0056 0.0968 0.0968
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0111 1
Loa Loa (eye worm) hypothetical protein 0.0127 0.3006 0.3006
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0111 0.471
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0045 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0032 0.0293 0.0293
Schistosoma mansoni hypothetical protein 0.0177 0.4433 0.4408
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0056 0.0968 0.112
Onchocerca volvulus 0.0304 0.806 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0111 0.0111
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5225 0.6284
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0968 0.112
Brugia malayi Probable exocyst complex component Sec5 0.0056 0.0968 0.1003
Loa Loa (eye worm) hypothetical protein 0.0056 0.0968 0.0968
Brugia malayi IPT/TIG domain containing protein 0.0056 0.0968 0.1003
Entamoeba histolytica protein kinase domain containing protein 0.0074 0.1497 1
Brugia malayi Plexin repeat family protein 0.0304 0.806 0.8353
Schistosoma mansoni plexin 0.0304 0.806 0.8052
Schistosoma mansoni hypothetical protein 0.0127 0.3006 0.2975
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0957 0.0957
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0185 1
Schistosoma mansoni ran 0.0026 0.0111 0.0067
Loa Loa (eye worm) hypothetical protein 0.0023 0.0022 0.0022
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5225 0.6284
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0031 0.0259 0.0259
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.0127 0.3006 0.3006
Brugia malayi RNA, U transporter 1 0.0099 0.2208 0.2288
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0957 0.0957
Echinococcus granulosus semaphorin 1A 0.0127 0.3006 0.3006
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.554 0.6665
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0957 0.0916
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0957 0.0957
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0045 0.0045
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.829 1
Loa Loa (eye worm) hypothetical protein 0.0127 0.3006 0.3006
Loa Loa (eye worm) hypothetical protein 0.0127 0.3006 0.3006
Schistosoma mansoni tyrosine kinase 0.0025 0.0095 0.005
Loa Loa (eye worm) hypothetical protein 0.0056 0.0968 0.0968
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.7538 0.7538
Loa Loa (eye worm) hypothetical protein 0.0286 0.7538 0.7538
Entamoeba histolytica Ran family GTPase 0.0026 0.0111 0.0457
Schistosoma mansoni hypothetical protein 0.0205 0.5226 0.5204
Schistosoma mansoni survival motor neuron protein 0.0058 0.1043 0.1003
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.554 0.6665
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.829 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5225 0.6284
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0056 0.0968 0.112
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0045 0.0045
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0957 0.0957
Brugia malayi hypothetical protein 0.0127 0.3006 0.3115
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.829 0.8591
Schistosoma mansoni fibrocystin l 0.0056 0.0968 0.0928
Schistosoma mansoni semaphorin 5-related 0.0127 0.3006 0.2975
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.829 1
Brugia malayi hypothetical protein 0.0127 0.3006 0.3115
Leishmania major importin beta-1 subunit, putative 0.0028 0.0185 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.4433 0.4433
Loa Loa (eye worm) hypothetical protein 0.0127 0.3006 0.3006
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0111 0.0115
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0111 0.2017
Entamoeba histolytica tyrosin kinase, putative 0.0074 0.1497 1
Echinococcus multilocularis dna polymerase eta 0.0023 0.0045 0.0045
Echinococcus multilocularis hypothetical protein 0.0127 0.3006 0.3006
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0045 0.0046
Loa Loa (eye worm) hypothetical protein 0.0023 0.0022 0.0022
Entamoeba histolytica cell surface protease gp63, putative 0.0056 0.0968 0.6361
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0957 0.0916
Brugia malayi hypothetical protein 0.0286 0.7538 0.7812
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0968 0.112
Loa Loa (eye worm) hypothetical protein 0.0023 0.0022 0.0022
Brugia malayi hypothetical protein 0.0023 0.0022 0.0022
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0045 0.5
Echinococcus multilocularis exocyst complex component 2 0.0056 0.0968 0.0968
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0374 0.0374
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5225 0.6284
Echinococcus multilocularis roundabout 2 0.0029 0.0209 0.0209
Echinococcus granulosus transcription factor collier 0.0056 0.0968 0.0968
Schistosoma mansoni cell adhesion molecule 0.0026 0.0117 0.0072
Leishmania major GTP-binding protein, putative 0.0026 0.0111 0.471
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.829 1
Schistosoma mansoni hypothetical protein 0.0056 0.0968 0.0928
Loa Loa (eye worm) hypothetical protein 0.0304 0.806 0.806
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0185 0.0171
Brugia malayi plexin A 0.0359 0.965 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0957 0.0957
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0968 0.112
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0968 0.112
Echinococcus granulosus dna polymerase eta 0.0023 0.0045 0.0045
Brugia malayi Fibronectin type III domain containing protein 0.0023 0.0022 0.0022
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.829 0.829
Brugia malayi Sema domain containing protein 0.0127 0.3006 0.3115
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0374 1
Loa Loa (eye worm) sema domain-containing protein 0.0127 0.3006 0.3006
Entamoeba histolytica hypothetical protein 0.0028 0.0185 0.097
Schistosoma mansoni hypothetical protein 0.0056 0.0968 0.0928
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0968 0.112
Echinococcus multilocularis plexin a4 0.0359 0.965 0.965
Loa Loa (eye worm) plexin A 0.0359 0.965 0.965
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1043 0.1081
Plasmodium vivax importin-beta 2, putative 0.0035 0.0374 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5225 0.6284
Onchocerca volvulus 0.0127 0.3006 0.373
Schistosoma mansoni nephrin 0.0026 0.0115 0.007
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0127 0.3006 0.3006
Echinococcus granulosus semaphorin 5B 0.0127 0.3006 0.3006
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.5225 0.6284
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.5225 0.6483
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.7538 0.7538
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0185 0.0171
Entamoeba histolytica hypothetical protein 0.0056 0.0968 0.6361
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0968 0.112
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0374 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0032 0.0293 0.0303
Trichomonas vaginalis ran, putative 0.0026 0.0111 0.008
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0968 0.112
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0111 0.0111
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0111 0.471
Echinococcus granulosus importin subunit beta 1 0.0035 0.0374 0.0374
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0022 0.0022
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0056 0.0968 0.112
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0957 0.0916
Onchocerca volvulus 0.0058 0.1043 0.1294
Schistosoma mansoni importin beta-1 0.0035 0.0374 0.0331
Schistosoma mansoni ephrin receptor 0.0031 0.0259 0.0216
Loa Loa (eye worm) hypothetical protein 0.0035 0.0374 0.0374
Echinococcus granulosus roundabout 2 0.0029 0.0209 0.0209
Brugia malayi DNA-binding protein LAG-1 0.0056 0.0968 0.1003
Echinococcus multilocularis semaphorin 5B 0.0127 0.3006 0.3006
Schistosoma mansoni ran 0.0026 0.0111 0.0067
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0185 0.0171
Schistosoma mansoni hypothetical protein 0.0058 0.1043 0.1003
Loa Loa (eye worm) hypothetical protein 0.0023 0.0045 0.0045
Echinococcus granulosus geminin 0.0205 0.5226 0.5226
Entamoeba histolytica hypothetical protein 0.0056 0.0968 0.6361
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.829 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0045 0.0046
Echinococcus granulosus dna polymerase kappa 0.0023 0.0045 0.0045
Loa Loa (eye worm) sema domain-containing protein 0.0127 0.3006 0.3006
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0045 0.5
Plasmodium falciparum importin beta, putative 0.0035 0.0374 1
Schistosoma mansoni hypothetical protein 0.0205 0.5226 0.5204
Brugia malayi Sema domain containing protein 0.0127 0.3006 0.3115
Loa Loa (eye worm) hypothetical protein 0.0056 0.0968 0.0968
Entamoeba histolytica hypothetical protein 0.0056 0.0968 0.6361
Echinococcus multilocularis transcription factor collier 0.0056 0.0968 0.0968
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0374 1
Schistosoma mansoni hypothetical protein 0.0127 0.3006 0.2975
Brugia malayi Importin beta-1 subunit 0.0035 0.0374 0.0387
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0045 0.0045
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0056 0.0968 0.112
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0957 0.0992
Schistosoma mansoni plexin 0.0177 0.4433 0.4408
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0045 0.5
Entamoeba histolytica hypothetical protein 0.0056 0.0968 0.6361

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1095 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 5.8048 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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