Detailed information for compound 1775888

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 552.645 | Formula: C34H24N4O2S
  • H donors: 2 H acceptors: 3 LogP: 8.07 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: S=C(NC(=O)c1nn(c(c1C(=O)c1ccccc1)c1ccccc1)c1ccccc1)Nc1cccc2c1cccc2
  • InChi: 1S/C34H24N4O2S/c39-32(25-16-6-2-7-17-25)29-30(33(40)36-34(41)35-28-22-12-18-23-13-10-11-21-27(23)28)37-38(26-19-8-3-9-20-26)31(29)24-14-4-1-5-15-24/h1-22H,(H2,35,36,40,41)
  • InChiKey: FEMFKRSHEHAMCO-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei alpha tubulin 0.0063 0.0554 0.2601
Echinococcus granulosus puromycin sensitive aminopeptidase 0.012 0.2129 0.2129
Echinococcus multilocularis tubulin alpha chain 0.0063 0.0554 0.0554
Leishmania major beta tubulin 0.0063 0.0554 0.2601
Schistosoma mansoni tubulin subunit alpha 0.0063 0.0554 0.1027
Trypanosoma brucei beta tubulin 0.0063 0.0554 0.2601
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0199 0.4269 0.4269
Echinococcus multilocularis Tubulin alpha 1 chain 0.0063 0.0554 0.0554
Echinococcus multilocularis tubulin gamma 1 chain 0.0063 0.0554 0.0554
Trichomonas vaginalis tubulin beta chain, putative 0.0063 0.0554 0.2601
Echinococcus granulosus Tubulin beta 2C chain 0.0063 0.0554 0.0554
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0067 0.0669 0.0669
Trichomonas vaginalis tubulin gamma chain, putative 0.0063 0.0554 0.2601
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.012 0.2129 0.3948
Leishmania major alpha tubulin 0.0063 0.0554 0.2601
Leishmania major beta tubulin 0.0063 0.0554 0.2601
Echinococcus granulosus tubulin alpha chain 0.0063 0.0554 0.0554
Leishmania major beta tubulin 0.0063 0.0554 0.2601
Trypanosoma brucei Aminopeptidase M1, putative 0.012 0.2129 1
Leishmania major alpha tubulin 0.0063 0.0554 0.2601
Echinococcus multilocularis Tubulin alpha 1 chain 0.0063 0.0554 0.0554
Trichomonas vaginalis tubulin gamma chain, putative 0.0063 0.0554 0.2601
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0063 0.0554 0.0554
Echinococcus multilocularis tubulin epsilon chain 0.0063 0.0554 0.0554
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0199 0.4269 0.4269
Trypanosoma cruzi epsilon tubulin, putative 0.0063 0.0554 0.2601
Loa Loa (eye worm) tubulin gamma chain 0.0063 0.0554 0.0626
Toxoplasma gondii beta-tubulin, putative 0.0063 0.0554 0.8276
Echinococcus multilocularis Tubulin beta 2C chain 0.0063 0.0554 0.0554
Schistosoma mansoni alpha tubulin 0.0063 0.0554 0.1027
Leishmania major alpha tubulin 0.0063 0.0554 0.2601
Leishmania major beta tubulin 0.0063 0.0554 0.2601
Leishmania major beta tubulin 0.0063 0.0554 0.2601
Echinococcus granulosus tubulin subunit beta 0.0063 0.0554 0.0554
Trypanosoma brucei beta tubulin 0.0063 0.0554 0.2601
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0067 0.0669 0.3143
Trichomonas vaginalis tubulin beta chain, putative 0.0063 0.0554 0.2601
Leishmania major beta tubulin 0.0063 0.0554 0.2601
Plasmodium vivax tubulin alpha chain, putative 0.0063 0.0554 1
Leishmania major alpha tubulin 0.0063 0.0554 0.2601
Echinococcus multilocularis Tubulin beta 2C chain 0.0063 0.0554 0.0554
Trypanosoma brucei tubulin gamma chain 0.0063 0.0554 0.2601
Echinococcus granulosus beta tubulin 0.0063 0.0554 0.0554
Giardia lamblia Gamma tubulin 0.0063 0.0554 0.5
Trypanosoma brucei epsilon tubulin 0.0063 0.0554 0.2601
Trichomonas vaginalis tubulin gamma chain, putative 0.0063 0.0554 0.2601
Plasmodium falciparum tubulin epsilon chain, putative 0.0063 0.0554 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0063 0.0554 0.0554
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0199 0.4269 0.7917
Echinococcus granulosus tubulin alpha chain 0.0063 0.0554 0.0554
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.012 0.2129 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0063 0.0554 0.0554
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0199 0.4269 0.4269
Echinococcus multilocularis hypothetical protein 0.0063 0.0554 0.0554
Loa Loa (eye worm) tubulin beta-4 chain 0.0063 0.0554 0.0626
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.012 0.2129 0.2129
Echinococcus multilocularis Tubulin beta 2C chain 0.0063 0.0554 0.0554
Echinococcus granulosus tubulin beta 1 chain 0.0063 0.0554 0.0554
Echinococcus multilocularis tubulin alpha chain 0.0063 0.0554 0.0554
Echinococcus granulosus beta tubulin 0.0063 0.0554 0.0554
Echinococcus granulosus tubulin beta 4A class IVa 0.0063 0.0554 0.0554
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.012 0.2129 1
Trypanosoma brucei alpha tubulin 0.0063 0.0554 0.2601
Loa Loa (eye worm) tubulin beta-1 chain 0.0063 0.0554 0.0626
Brugia malayi prolyl oligopeptidase family protein 0.0199 0.4269 0.4269
Echinococcus multilocularis Tubulin beta 2C chain 0.0063 0.0554 0.0554
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0067 0.0669 1
Trypanosoma brucei alpha tubulin 0.0063 0.0554 0.2601
Trichomonas vaginalis tubulin epsilon chain, putative 0.0063 0.0554 0.2601
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0067 0.0669 0.1241
Leishmania major beta tubulin 0.0063 0.0554 0.2601
Schistosoma mansoni tubulin subunit beta 0.0063 0.0554 0.1027
Leishmania major beta tubulin 0.0063 0.0554 0.2601
Leishmania major beta tubulin 0.0063 0.0554 0.2601
Echinococcus multilocularis tubulin alpha 0.0063 0.0554 0.0554
Echinococcus granulosus Tubulin alpha 1 chain 0.0063 0.0554 0.0554
Trichomonas vaginalis tubulin alpha chain, putative 0.0063 0.0554 0.2601
Echinococcus multilocularis tubulin alpha 1C chain 0.0063 0.0554 0.0554
Trichomonas vaginalis tubulin beta chain, putative 0.0063 0.0554 0.2601
Plasmodium falciparum alpha tubulin 1 0.0063 0.0554 1
Leishmania major alpha tubulin 0.0063 0.0554 0.2601
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.012 0.2129 0.2129
Loa Loa (eye worm) tubulin beta-2A chain 0.0063 0.0554 0.0626
Echinococcus multilocularis tubulin beta 1 chain 0.0063 0.0554 0.0554
Echinococcus granulosus peroxisome assembly protein 26 0.0063 0.0554 0.0554
Leishmania major alpha tubulin 0.0063 0.0554 0.2601
Leishmania major beta tubulin 0.0063 0.0554 0.2601
Echinococcus multilocularis beta tubulin 0.0063 0.0554 0.0554
Leishmania major beta tubulin 0.0063 0.0554 0.2601
Echinococcus granulosus tubulin alpha 1C chain 0.0063 0.0554 0.0554
Echinococcus granulosus tubulin epsilon chain 0.0063 0.0554 0.0554
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.012 0.2129 0.2129
Schistosoma mansoni tubulin subunit alpha 0.0063 0.0554 0.1027
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0078 0.0975 0.1807
Trichomonas vaginalis tubulin beta chain, putative 0.0063 0.0554 0.2601
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0067 0.0669 0.3143
Echinococcus granulosus tubulin alpha chain 0.0063 0.0554 0.0554
Plasmodium vivax tubulin beta chain, putative 0.0063 0.0554 1
Echinococcus granulosus alpha tubulin 0.0063 0.0554 0.0554
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0063 0.0554 0.2601
Toxoplasma gondii beta-1 tubulin, putative 0.0063 0.0554 0.8276
Leishmania major alpha tubulin 0.0063 0.0554 0.2601
Plasmodium vivax tubulin gamma chain, putative 0.0063 0.0554 1
Trypanosoma brucei Aminopeptidase M1, putative 0.012 0.2129 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0063 0.0554 0.0554
Leishmania major alpha tubulin 0.0063 0.0554 0.2601
Brugia malayi alpha-tubulin 0.0063 0.0554 0.0554
Brugia malayi Tubulin alpha-2 chain 0.0063 0.0554 0.0554
Leishmania major alpha tubulin 0.0063 0.0554 0.2601
Brugia malayi prolyl oligopeptidase family protein 0.0067 0.0669 0.0669
Leishmania major beta tubulin 0.0063 0.0554 0.2601
Echinococcus multilocularis tubulin alpha chain 0.0063 0.0554 0.0554
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0063 0.0554 0.8276
Schistosoma mansoni alpha tubulin 0.0063 0.0554 0.1027
Trypanosoma cruzi Aminopeptidase M1, putative 0.012 0.2129 1
Schistosoma mansoni neuropeptide receptor 0.024 0.5393 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0063 0.0554 0.0554
Echinococcus granulosus tubulin alpha 1C chain 0.0063 0.0554 0.0554
Echinococcus granulosus tubulin alpha 3 chain 0.0063 0.0554 0.0554
Giardia lamblia Beta tubulin 0.0063 0.0554 0.5
Echinococcus granulosus tubulin gamma 1 chain 0.0063 0.0554 0.0554
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0067 0.0669 0.3143
Trichomonas vaginalis tubulin beta chain, putative 0.0063 0.0554 0.2601
Echinococcus granulosus tubulin alpha 0.0063 0.0554 0.0554
Brugia malayi hypothetical protein 0.0051 0.0239 0.0239
Trypanosoma cruzi tubulin gamma chain 0.0063 0.0554 0.2601
Leishmania major gamma-tubulin 0.0063 0.0554 0.2601
Leishmania major epsilon tubulin, putative 0.0063 0.0554 0.2601
Loa Loa (eye worm) hypothetical protein 0.0063 0.0554 0.0626
Loa Loa (eye worm) beta-tubulin 0.0063 0.0554 0.0626
Loa Loa (eye worm) hypothetical protein 0.0289 0.6717 0.7593
Schistosoma mansoni tubulin subunit alpha 0.0063 0.0554 0.1027
Trichomonas vaginalis tubulin epsilon chain, putative 0.0063 0.0554 0.2601
Echinococcus granulosus puromycin sensitive aminopeptidase 0.012 0.2129 0.2129
Brugia malayi Tubulin alpha chain 0.0063 0.0554 0.0554
Leishmania major beta tubulin 0.0063 0.0554 0.2601
Echinococcus granulosus Tubulin alpha 1 chain 0.0063 0.0554 0.0554
Brugia malayi Peptidase family M1 containing protein 0.012 0.2129 0.2129
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.012 0.2129 0.2129
Echinococcus granulosus puromycin sensitive aminopeptidase 0.012 0.2129 0.2129
Echinococcus granulosus Dipeptidyl peptidase 9 0.0067 0.0669 0.0669
Onchocerca volvulus 0.0409 1 1
Trypanosoma cruzi beta tubulin, putative 0.0063 0.0554 0.2601
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0078 0.0975 0.4578
Trichomonas vaginalis tubulin beta chain, putative 0.0063 0.0554 0.2601
Brugia malayi hypothetical protein 0.012 0.2129 0.2129
Brugia malayi tubulin alpha-2 chain 0.0063 0.0554 0.0554
Toxoplasma gondii beta tubulin 0.0063 0.0554 0.8276
Loa Loa (eye worm) aminopeptidase N 0.012 0.2129 0.2407
Trypanosoma brucei alpha tubulin 0.0063 0.0554 0.2601
Loa Loa (eye worm) hypothetical protein 0.0078 0.0975 0.1102
Brugia malayi tubulin alpha chain - mouse 0.0063 0.0554 0.0554
Echinococcus granulosus Tubulin beta 2C chain 0.0063 0.0554 0.0554
Leishmania major beta tubulin 0.0063 0.0554 0.2601
Leishmania major alpha tubulin 0.0063 0.0554 0.2601
Echinococcus granulosus tubulin subunit TubB 0.0063 0.0554 0.0554
Giardia lamblia Beta tubulin 0.0063 0.0554 0.5
Onchocerca volvulus 0.012 0.2129 0.2129
Plasmodium falciparum alpha tubulin 2 0.0063 0.0554 1
Echinococcus multilocularis tubulin subunit TubB 0.0063 0.0554 0.0554
Entamoeba histolytica aminopeptidase, putative 0.012 0.2129 1
Trichomonas vaginalis tubulin beta chain, putative 0.0063 0.0554 0.2601
Brugia malayi Tubulin alpha-2 chain 0.0063 0.0554 0.0554
Loa Loa (eye worm) BEN-1 protein 0.0063 0.0554 0.0626
Brugia malayi Tubulin beta-1 chain 0.0063 0.0554 0.0554
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.012 0.2129 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0063 0.0554 0.0554
Loa Loa (eye worm) tubulin alpha chain 0.0063 0.0554 0.0626
Echinococcus multilocularis beta tubulin 0.0063 0.0554 0.0554
Brugia malayi beta-tubulin, identical 0.0063 0.0554 0.0554
Schistosoma mansoni tubulin subunit beta 0.0063 0.0554 0.1027
Plasmodium vivax tubulin epsilon chain, putative 0.0063 0.0554 1
Schistosoma mansoni tubulin subunit epsilon 0.0063 0.0554 0.1027
Brugia malayi Tubulin gamma chain 0.0063 0.0554 0.0554
Echinococcus granulosus tubulin alpha chain 0.0063 0.0554 0.0554
Echinococcus granulosus Tubulin beta 2C chain 0.0063 0.0554 0.0554
Trypanosoma cruzi epsilon tubulin, putative 0.0063 0.0554 0.2601
Trypanosoma brucei beta tubulin 0.0063 0.0554 0.2601
Toxoplasma gondii alpha-tubulin I, putative 0.0063 0.0554 0.8276
Leishmania major beta tubulin 0.0063 0.0554 0.2601
Loa Loa (eye worm) prolyl oligopeptidase 0.0199 0.4269 0.4826
Loa Loa (eye worm) alpha-tubulin 0.0063 0.0554 0.0626
Loa Loa (eye worm) BEN-1 protein 0.0063 0.0554 0.0626
Echinococcus multilocularis neuropeptide receptor 0.024 0.5393 0.5393
Echinococcus multilocularis tubulin alpha chain 0.0063 0.0554 0.0554
Loa Loa (eye worm) hypothetical protein 0.0051 0.0239 0.027
Echinococcus granulosus Tubulin alpha 1 chain 0.0063 0.0554 0.0554
Loa Loa (eye worm) tubulin beta chain 0.0063 0.0554 0.0626
Trypanosoma cruzi alpha tubulin, putative 0.0063 0.0554 0.2601
Echinococcus granulosus aminopeptidase N 0.0409 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.024 0.5393 0.5393
Loa Loa (eye worm) hypothetical protein 0.0367 0.8846 1
Giardia lamblia Beta tubulin 0.0063 0.0554 0.5
Echinococcus granulosus Tubulin beta 2C chain 0.0063 0.0554 0.0554
Trypanosoma brucei beta tubulin 0.0063 0.0554 0.2601
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.012 0.2129 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.012 0.2129 0.2129
Trichomonas vaginalis tubulin epsilon chain, putative 0.0063 0.0554 0.2601
Echinococcus multilocularis aminopeptidase N 0.0409 1 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.012 0.2129 0.2129
Leishmania major alpha tubulin 0.0063 0.0554 0.2601
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0067 0.0669 0.3143
Trichomonas vaginalis tubulin, putative 0.0063 0.0554 0.2601
Trypanosoma brucei epsilon tubulin 0.0063 0.0554 0.2601
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.012 0.2129 0.3948
Leishmania major beta tubulin 0.0063 0.0554 0.2601
Giardia lamblia Alpha-tubulin 0.0063 0.0554 0.5
Toxoplasma gondii alpha tubulin TUBA1 0.0063 0.0554 0.8276
Echinococcus multilocularis tubulin alpha chain 0.0063 0.0554 0.0554
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0078 0.0975 0.0975
Loa Loa (eye worm) peptidase family M1 containing protein 0.0331 0.7871 0.8898
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.012 0.2129 0.2129
Giardia lamblia Alpha-tubulin 0.0063 0.0554 0.5
Trypanosoma brucei beta tubulin 0.0063 0.0554 0.2601
Plasmodium vivax tubulin alpha chain, putative 0.0063 0.0554 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.012 0.2129 1
Schistosoma mansoni tubulin subunit beta 0.0063 0.0554 0.1027
Loa Loa (eye worm) tubulin alpha chain 0.0063 0.0554 0.0626
Schistosoma mansoni alpha tubulin 0.0063 0.0554 0.1027
Mycobacterium ulcerans aminopeptidase N PepN 0.012 0.2129 1
Echinococcus granulosus neuropeptide receptor 0.024 0.5393 0.5393
Echinococcus multilocularis tubulin subunit beta 0.0063 0.0554 0.0554
Loa Loa (eye worm) hypothetical protein 0.0078 0.0975 0.1102
Trichomonas vaginalis tubulin alpha chain, putative 0.0063 0.0554 0.2601
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.012 0.2129 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0063 0.0554 0.2601
Plasmodium falciparum tubulin gamma chain 0.0063 0.0554 1
Loa Loa (eye worm) alpha-tubulin 0.0063 0.0554 0.0626
Trypanosoma brucei epsilon tubulin 0.0063 0.0554 0.2601
Loa Loa (eye worm) tubulin alpha-2 chain 0.0063 0.0554 0.0626
Leishmania major beta tubulin 0.0063 0.0554 0.2601
Schistosoma mansoni tubulin subunit beta 0.0063 0.0554 0.1027
Echinococcus granulosus tubulin alpha 3 chain 0.0063 0.0554 0.0554
Schistosoma mansoni tubulin subunit beta 0.0063 0.0554 0.1027
Echinococcus multilocularis peroxisome assembly protein 26 0.0063 0.0554 0.0554
Schistosoma mansoni tubulin subunit beta 0.0063 0.0554 0.1027
Echinococcus granulosus tubulin alpha chain 0.0063 0.0554 0.0554
Schistosoma mansoni tubulin subunit gamma 0.0063 0.0554 0.1027
Leishmania major beta tubulin 0.0063 0.0554 0.2601
Leishmania major alpha tubulin 0.0063 0.0554 0.2601
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0067 0.0669 0.3143
Echinococcus granulosus Tubulin beta 2C chain 0.0063 0.0554 0.0554
Plasmodium falciparum tubulin beta chain 0.0063 0.0554 1
Trypanosoma cruzi aminopeptidase, putative 0.012 0.2129 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 51.24 % Anticancer activity against human HepG2 cells assessed as viable cells at 10'-5 M after 48 hrs by XTT assay relative to control ChEMBL. 23664495

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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