Detailed information for compound 440503

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.438 | Formula: C19H20N2O5S
  • H donors: 0 H acceptors: 2 LogP: 3.62 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC)c1snnc1c1cc(OC)c(c(c1)OC)OC
  • InChi: 1S/C19H20N2O5S/c1-22-13-7-6-11(8-14(13)23-2)19-17(20-21-27-19)12-9-15(24-3)18(26-5)16(10-12)25-4/h6-10H,1-5H3
  • InChiKey: JYVZAOWJYZKTKC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tubulin, beta 2B class IIb Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-7 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium yoelii tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Babesia bovis tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-4 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus tubulin beta 4A class IVa Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Brugia malayi Tubulin beta-1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis tubulin, beta 4A class IVa Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Cryptosporidium hominis beta-catenin-like repeat protein Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium falciparum tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin alpha chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium vivax tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Theileria parva tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-1 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum ko:K07375 tubulin beta, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-1 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus tubulin beta 1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin epsilon chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma cruzi beta tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma congolense beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei gambiense beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia Beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Toxoplasma gondii beta-1 tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum ko:K07375 tubulin beta, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis tubulin beta 1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Cryptosporidium parvum tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Neospora caninum hypothetical protein Get druggable targets OG5_126611 All targets in OG5_126611
Entamoeba histolytica tubulin family protein Get druggable targets OG5_126611 All targets in OG5_126611
Neospora caninum hypothetical protein Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Entamoeba histolytica tubulin family protein Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium berghei tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta-1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Toxoplasma gondii beta-tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) BEN-1 protein Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Brugia malayi beta-tubulin, identical Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin epsilon chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia Beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Toxoplasma gondii beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta-2A chain Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) BEN-1 protein Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin gamma chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei gambiense beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta-4 chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia Beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum tubulin gamma chain tubulin, beta 2B class IIb 445 aa 438 aa 32.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis beta tubulin 0.003 0.0101 0.027
Loa Loa (eye worm) hypothetical protein 0.0036 0.0146 0.0392
Schistosoma mansoni tubulin subunit beta 0.003 0.0101 0.0101
Loa Loa (eye worm) tubulin beta-4 chain 0.003 0.0101 0.027
Echinococcus granulosus Proliferation associated protein 2G4 0.0063 0.0352 0.0946
Plasmodium vivax methionine aminopeptidase 1c, putative 0.0063 0.0352 0.0869
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0146 0.0392
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0031 0.0084
Brugia malayi hypothetical protein 0.0021 0.0031 0.0084
Echinococcus granulosus beta tubulin 0.003 0.0101 0.027
Plasmodium vivax peptidase, putative 0.0063 0.0352 0.0869
Brugia malayi TAR-binding protein 0.0067 0.0379 0.1018
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0063 0.0352 0.0695
Echinococcus multilocularis methionine aminopeptidase, type I 0.0063 0.0352 0.0946
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.0063 0.0352 0.0352
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0063 0.0352 0.0695
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0507 0.3722 0.3722
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0379 0.0379
Schistosoma mansoni tubulin subunit beta 0.003 0.0101 0.0101
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0063 0.0352 0.0695
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.0825 0.2217
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0063 0.0352 0.0695
Plasmodium vivax tubulin beta chain, putative 0.003 0.0101 0.0187
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0379 0.0379
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0239 0.0239
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0063 0.0352 0.0695
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0507 0.3722 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0507 0.3722 1
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0358 0.0358
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0063 0.0352 0.0946
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0063 0.0352 0.0869
Giardia lamblia Xaa-Pro dipeptidase 0.0063 0.0352 0.0695
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0358 0.0962
Loa Loa (eye worm) methionine aminopeptidase type I 0.0063 0.0352 0.0946
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0271 0.0729
Echinococcus granulosus xaa Pro dipeptidase 0.0063 0.0352 0.0946
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0063 0.0352 0.0695
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0246 0.1738 0.467
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0379 0.0379
Onchocerca volvulus FACT complex subunit SPT16 homolog 0.0063 0.0352 0.0869
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0063 0.0352 0.0254
Brugia malayi follicle stimulating hormone receptor 0.0246 0.1738 0.467
Plasmodium falciparum aminopeptidase P 0.0063 0.0352 0.0869
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0063 0.0352 0.0352
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0031 0.0084
Echinococcus granulosus Tubulin beta 2C chain 0.003 0.0101 0.027
Echinococcus granulosus xaa pro aminopeptidase 0.0063 0.0352 0.0946
Echinococcus multilocularis Tubulin beta 2C chain 0.003 0.0101 0.027
Echinococcus granulosus tubulin beta 4A class IVa 0.003 0.0101 0.027
Trypanosoma brucei Facilitates chromatin transcription complex subunit spt16 0.0063 0.0352 0.0254
Loa Loa (eye worm) hypothetical protein 0.0052 0.0271 0.0729
Giardia lamblia Methionine aminopeptidase 0.0507 0.3722 1
Schistosoma mansoni aminopeptidase P1 (M24 family) 0.0063 0.0352 0.0352
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0063 0.0352 0.5
Schistosoma mansoni loxhd1 0.0021 0.0031 0.0031
Trypanosoma brucei Xaa-Pro aminopeptidase, putative 0.0063 0.0352 0.0254
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0239 0.0641
Loa Loa (eye worm) hypothetical protein 0.0063 0.0352 0.0946
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0239 0.0641
Toxoplasma gondii methionine aminopeptidase 0.0063 0.0352 0.0695
Schistosoma mansoni tubulin subunit beta 0.003 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0021 0.0031 0.0084
Trypanosoma brucei Metallopeptidase family M24, putative 0.0063 0.0352 0.0254
Echinococcus multilocularis methionyl aminopeptidase 2 0.0507 0.3722 1
Echinococcus granulosus tubulin subunit beta 0.003 0.0101 0.027
Echinococcus multilocularis Xaa Pro aminopeptidase 3 0.0063 0.0352 0.0946
Brugia malayi initiation factor 2-associated protein. 0.0507 0.3722 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0379 0.0379
Brugia malayi Methionine aminopeptidase protein type I 0.0063 0.0352 0.0946
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0239 0.0641
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0379 0.1018
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0063 0.0352 0.0695
Brugia malayi MH2 domain containing protein 0.0125 0.0825 0.2217
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0063 0.0352 0.0695
Treponema pallidum methionine aminopeptidase (map) 0.0063 0.0352 0.5
Loa Loa (eye worm) BEN-1 protein 0.003 0.0101 0.027
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0063 0.0352 0.0695
Plasmodium vivax methionine aminopeptidase 2, putative 0.0507 0.3722 1
Brugia malayi metallopeptidase family M24 containing protein 0.0063 0.0352 0.0946
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0063 0.0352 0.5
Echinococcus multilocularis Tubulin beta 2C chain 0.003 0.0101 0.027
Brugia malayi Doublecortin family protein 0.0021 0.0031 0.0084
Echinococcus granulosus neuropeptide receptor A26 0.0487 0.3571 0.9593
Schistosoma mansoni tubulin subunit beta 0.003 0.0101 0.0101
Onchocerca volvulus 0.0063 0.0352 0.0869
Loa Loa (eye worm) BEN-1 protein 0.003 0.0101 0.027
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0239 0.0239
Wolbachia endosymbiont of Brugia malayi Xaa-Pro aminopeptidase 0.0063 0.0352 0.5
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0063 0.0352 0.0352
Echinococcus multilocularis neuropeptide s receptor 0.0487 0.3571 0.9593
Schistosoma mansoni tubulin subunit beta 0.003 0.0101 0.0101
Toxoplasma gondii peptidase D, putative 0.0063 0.0352 0.0695
Schistosoma mansoni lipoxygenase 0.0087 0.0531 0.0531
Echinococcus granulosus neuropeptide s receptor 0.0487 0.3571 0.9593
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0063 0.0352 0.0695
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0063 0.0352 0.0695
Trypanosoma cruzi aminopeptidase P1, putative 0.0063 0.0352 0.0695
Toxoplasma gondii transcriptional elongation factor FACT140 0.0063 0.0352 0.0695
Schistosoma mansoni polycystin 1-related 0.0021 0.0031 0.0031
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0031 0.0084
Plasmodium falciparum proliferation-associated protein 2g4, putative 0.0063 0.0352 0.0869
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0063 0.0352 0.0946
Schistosoma mansoni tubulin subunit beta 0.003 0.0101 0.0101
Entamoeba histolytica hypothetical protein, conserved 0.0063 0.0352 0.0695
Loa Loa (eye worm) tubulin beta-2A chain 0.003 0.0101 0.027
Brugia malayi metallopeptidase family M24 containing protein 0.0063 0.0352 0.0946
Trypanosoma brucei RNA helicase, putative 0.1335 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0358 1
Echinococcus multilocularis Tubulin beta 2C chain 0.003 0.0101 0.027
Loa Loa (eye worm) beta-tubulin 0.003 0.0101 0.027
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0063 0.0352 0.0869
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0507 0.3722 1
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0063 0.0352 0.0695
Leishmania major hypothetical protein, conserved 0.0063 0.0352 0.0695
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0063 0.0352 0.0695
Loa Loa (eye worm) hypothetical protein 0.0063 0.0352 0.0946
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0031 0.0084
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0507 0.3722 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0379 0.1018
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0031 0.0084
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0507 0.3722 1
Loa Loa (eye worm) tubulin beta-1 chain 0.003 0.0101 0.027
Echinococcus granulosus tubulin beta 1 chain 0.003 0.0101 0.027
Echinococcus multilocularis tubulin subunit beta 0.003 0.0101 0.027
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0063 0.0352 0.0695
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0063 0.0352 0.0695
Schistosoma mansoni peptidase 0.0063 0.0352 0.0352
Brugia malayi DNA-binding protein, 42 kDa containing protein 0.0063 0.0352 0.0946
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0063 0.0352 0.0254
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0063 0.0352 0.0869
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0271 0.0729
Echinococcus granulosus methionine aminopeptidase type I 0.0063 0.0352 0.0946
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.0825 0.2217
Brugia malayi metallopeptidase family M24 containing protein 0.0063 0.0352 0.0946
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0063 0.0352 0.0352
Mycobacterium leprae Probable cytoplasmic peptidase PepQ 0.0063 0.0352 0.5
Entamoeba histolytica peptidase, putative 0.0063 0.0352 0.0695
Plasmodium falciparum FACT complex subunit SPT16, putative 0.0063 0.0352 0.0869
Chlamydia trachomatis aminopeptidase P 0.0063 0.0352 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0358 1
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0063 0.0352 0.0869
Loa Loa (eye worm) RNA binding protein 0.0067 0.0379 0.1018
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0124 0.0814 0.2186
Loa Loa (eye worm) initiation factor 2-associated protein 0.0507 0.3722 1
Echinococcus granulosus Xaa Pro aminopeptidase 3 0.0063 0.0352 0.0946
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0063 0.0352 0.0695
Loa Loa (eye worm) tubulin beta chain 0.003 0.0101 0.027
Echinococcus granulosus xaa Pro dipeptidase 0.0063 0.0352 0.0946
Echinococcus granulosus Tubulin beta 2C chain 0.003 0.0101 0.027
Schistosoma mansoni hypothetical protein 0.0021 0.0031 0.0031
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0358 0.0962
Brugia malayi RNA binding protein 0.0067 0.0379 0.1018
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0507 0.3722 0.3659
Treponema pallidum aminopeptidase P 0.0063 0.0352 0.5
Trypanosoma cruzi Metallopeptidase family M24/FACT complex subunit (SPT16/CDC68)/Histone chaperone Rttp106-like, putative 0.0063 0.0352 0.0695
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0124 0.0814 0.2186
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0507 0.3722 0.3659
Echinococcus granulosus Tubulin beta 2C chain 0.003 0.0101 0.027
Schistosoma mansoni lipoxygenase 0.0124 0.0814 0.0814
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0063 0.0352 0.0254
Schistosoma mansoni Xaa-Pro dipeptidase (M24 family) 0.0063 0.0352 0.0352
Loa Loa (eye worm) DNA-binding protein 0.0063 0.0352 0.0946
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0031 0.0084
Chlamydia trachomatis methionine aminopeptidase 0.0063 0.0352 0.5
Plasmodium falciparum tubulin beta chain 0.003 0.0101 0.0187
Schistosoma mansoni rab6-interacting 0.0021 0.0031 0.0031
Echinococcus granulosus beta tubulin 0.003 0.0101 0.027
Toxoplasma gondii creatinase domain-containing protein 0.0063 0.0352 0.0695
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0239 0.0641
Echinococcus multilocularis xaa pro aminopeptidase 0.0063 0.0352 0.0946
Echinococcus granulosus methionyl aminopeptidase 2 0.0507 0.3722 1
Brugia malayi Tubulin beta-1 chain 0.003 0.0101 0.027
Trypanosoma cruzi aminopeptidase P, putative 0.0063 0.0352 0.0695
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0063 0.0352 0.0695
Toxoplasma gondii methionine aminopeptidase 0.0063 0.0352 0.0695
Plasmodium vivax FACT complex subunit SPT16, putative 0.0063 0.0352 0.0869
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0063 0.0352 0.0695
Echinococcus multilocularis beta tubulin 0.003 0.0101 0.027
Onchocerca volvulus Dipeptidase C homolog 0.0063 0.0352 0.0869
Echinococcus granulosus Tubulin beta 2C chain 0.003 0.0101 0.027
Trypanosoma brucei methionine aminopeptidase, putative 0.0063 0.0352 0.0254
Schistosoma mansoni chromatin-specific transcription elongation factor 140 kDa subunit (M24 family) 0.0063 0.0352 0.0352
Plasmodium falciparum methionine aminopeptidase 1c, putative 0.0063 0.0352 0.0869
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0271 0.0729
Echinococcus multilocularis xaa Pro dipeptidase 0.0063 0.0352 0.0946
Echinococcus multilocularis tubulin, beta 4A class IVa 0.003 0.0101 0.027
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0358 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0358 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0063 0.0352 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.0146 0.0146
Entamoeba histolytica methionine aminopeptidase, putative 0.0507 0.3722 1
Echinococcus multilocularis tubulin beta 1 chain 0.003 0.0101 0.027
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0063 0.0352 0.0254
Toxoplasma gondii proliferation-associated protein 2G4, putative 0.0063 0.0352 0.0695
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0063 0.0352 0.0695
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0379 0.1018
Loa Loa (eye worm) hypothetical protein 0.0021 0.0031 0.0084
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0031 0.0084
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0063 0.0352 0.0695
Plasmodium falciparum methionine aminopeptidase 2 0.0507 0.3722 1
Echinococcus multilocularis Tubulin beta 2C chain 0.003 0.0101 0.027
Giardia lamblia Xaa-Pro dipeptidase 0.0063 0.0352 0.0695
Schistosoma mansoni rab6-interacting 0.0021 0.0031 0.0031
Leishmania major aminopeptidase P, putative,metallo-peptidase, Clan MG, Family M24 0.0063 0.0352 0.0695
Brugia malayi hypothetical protein 0.0021 0.0031 0.0084
Leishmania major methionine aminopeptidase 2, putative 0.0507 0.3722 1
Echinococcus multilocularis Proliferation associated protein 2G4 0.0063 0.0352 0.0946
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0379 0.0379
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0063 0.0352 0.0946
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0507 0.3722 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0239 0.0239
Echinococcus granulosus RUN 0.0021 0.0031 0.0084
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0239 0.0641
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0239 0.0641
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0063 0.0352 0.0352
Brugia malayi beta-tubulin, identical 0.003 0.0101 0.027
Echinococcus multilocularis xaa Pro dipeptidase 0.0063 0.0352 0.0946
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0358 0.0711
Plasmodium vivax proliferation-associated protein 2g4, putative 0.0063 0.0352 0.0869
Loa Loa (eye worm) hypothetical protein 0.0063 0.0352 0.0946
Echinococcus granulosus FACT complex subunit SPT16 0.0063 0.0352 0.0946
Loa Loa (eye worm) metallopeptidase family M24 containing protein 0.0063 0.0352 0.0946
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0379 0.1018
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0358 0.0358
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0507 0.3722 1
Leishmania major transcription factor-like protein 0.0063 0.0352 0.0695
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0507 0.3722 1
Echinococcus multilocularis FACT complex subunit SPT16 0.0063 0.0352 0.0946
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0063 0.0352 0.0695
Echinococcus multilocularis neuropeptide receptor A26 0.0487 0.3571 0.9593
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0358 0.0711
Echinococcus granulosus Tubulin beta 2C chain 0.003 0.0101 0.027
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0063 0.0352 0.0695
Echinococcus multilocularis Tubulin beta 2C chain 0.003 0.0101 0.027
Echinococcus multilocularis RUN 0.0021 0.0031 0.0084
Echinococcus granulosus tar DNA binding protein 0.0067 0.0379 0.1018
Entamoeba histolytica aminopeptidase, putative 0.0063 0.0352 0.0695
Entamoeba histolytica Xaa-Pro dipeptidase, putative 0.0063 0.0352 0.0695
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0063 0.0352 0.0695

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 1 % Cell cycle arrest in HMEC1 cells assessed as accumulation at G1 phase at 100 nM after 24 hrs by flow cytometry assay relative to contro ChEMBL. 17174089
Activity (functional) = 12 % Cell cycle arrest in HMEC1 cells assessed as accumulation at G1 phase at 50 nM after 24 hrs by flow cytometry assay relative to control ChEMBL. 17174089
Activity (functional) = 21 % Cell cycle arrest in HMEC1 cells assessed as accumulation at S phase at 100 nM after 24 hrs by flow cytometry assay relative to control ChEMBL. 17174089
Activity (functional) = 24 % Cell cycle arrest in HMEC1 cells assessed as accumulation at G2/M phase at 6.25 nM after 24 hrs by flow cytometry assay relative to control ChEMBL. 17174089
Activity (functional) = 25 % Cell cycle arrest in HMEC1 cells assessed as accumulation at G2/M phase at 12.5 nM after 24 hrs by flow cytometry assay relative to control ChEMBL. 17174089
Activity (functional) = 27 % Cell cycle arrest in HMEC1 cells assessed as accumulation at S phase at 50 nM after 24 hrs by flow cytometry assay relative to control ChEMBL. 17174089
Activity (functional) = 29 % Cell cycle arrest in HMEC1 cells assessed as accumulation at S phase at 25 nM after 24 hrs by flow cytometry assay relative to control ChEMBL. 17174089
Activity (functional) = 33 % Cell cycle arrest in HMEC1 cells assessed as accumulation at G2/M phase at 25 nM after 24 hrs by flow cytometry assay relative to control ChEMBL. 17174089
Activity (functional) = 35 % Cell cycle arrest in HMEC1 cells assessed as accumulation at G1 phase at 12.5 nM after 24 hrs by flow cytometry assay relative to control ChEMBL. 17174089
Activity (functional) = 36 % Cell cycle arrest in HMEC1 cells assessed as accumulation at G1 phase at 6.25 nM after 24 hrs by flow cytometry assay relative to control ChEMBL. 17174089
Activity (functional) = 38 % Cell cycle arrest in HMEC1 cells assessed as accumulation at G1 phase at 25 nM after 24 hrs by flow cytometry assay relative to control ChEMBL. 17174089
Activity (functional) = 40 % Cell cycle arrest in HMEC1 cells assessed as accumulation at S phase at 6.25 nM after 24 hrs by flow cytometry assay relative to control ChEMBL. 17174089
Activity (functional) = 40 % Cell cycle arrest in HMEC1 cells assessed as accumulation at S phase at 12.5 nM after 24 hrs by flow cytometry assay relative to control ChEMBL. 17174089
Activity (functional) = 61 % Cell cycle arrest in HMEC1 cells assessed as accumulation at G2/M phase at 50 nM after 24 hrs by flow cytometry assay relative to control ChEMBL. 17174089
Activity (functional) = 78 % Cell cycle arrest in HMEC1 cells assessed as accumulation at G2/M phase at 100 nM after 24 hrs by flow cytometry assay relative to control ChEMBL. 17174089
IC50 (functional) = 50.9 nM Antiproliferative activity against human HCT116 cells ChEMBL. 17174089
IC50 (functional) = 50.9 nM Antiproliferative activity against human HCT116 cells ChEMBL. 17174089
IC50 (functional) = 60.9 nM Antiproliferative activity against human HL60 cells ChEMBL. 17174089
IC50 (functional) = 60.9 nM Antiproliferative activity against human HL60 cells ChEMBL. 17174089
IC50 (ADMET) = 75.8 nM Antiproliferative activity against human HMEC1 cells ChEMBL. 17174089
IC50 (binding) = 0.72 uM Inhibition of tubulin polymerization ChEMBL. 17174089
IC50 (binding) = 0.72 uM Inhibition of tubulin polymerization ChEMBL. 17174089

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17174089

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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