Detailed information for compound 1722935

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 463.951 | Formula: C24H30ClNO6
  • H donors: 3 H acceptors: 3 LogP: 2.81 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc(c(c1)c1ccccc1Cl)CCNC(=O)C
  • InChi: 1S/C24H30ClNO6/c1-14(27)26-12-11-15-9-10-16(13-18(15)17-7-5-6-8-19(17)25)31-23-21(29)20(28)22(30-4)24(2,3)32-23/h5-10,13,20-23,28-29H,11-12H2,1-4H3,(H,26,27)/t20-,21+,22+,23+/m0/s1
  • InChiKey: SGCBVAURWZNEQM-WBADGQHESA-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
Brugia malayi Tubulin beta chain 0.0149 0.121 0.121
Trichomonas vaginalis tubulin, putative 0.0149 0.121 0.0636
Onchocerca volvulus 0.0149 0.121 0.5
Entamoeba histolytica tubulin alpha-1 chain 0.0273 0.334 0.0238
Echinococcus granulosus tubulin alpha 3 chain 0.0273 0.334 0.2905
Brugia malayi Tubulin beta chain 0.0114 0.0613 0.0613
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0114 0.0613 0.5
Treponema pallidum cell division protein FtsZ 0.0114 0.0613 0.5
Trypanosoma brucei alpha tubulin 0.0273 0.334 0.2905
Echinococcus multilocularis tubulin subunit TubB 0.0273 0.334 0.2905
Schistosoma mansoni alpha tubulin 0.0273 0.334 0.3287
Schistosoma mansoni tubulin subunit alpha 0.0273 0.334 0.3287
Trypanosoma cruzi epsilon tubulin, putative 0.0263 0.3178 0.2732
Trichomonas vaginalis tubulin beta chain, putative 0.0273 0.334 0.2905
Echinococcus multilocularis microtubule associated protein 2 0.0588 0.8776 0.8696
Leishmania major alpha tubulin 0.0273 0.334 0.2905
Echinococcus multilocularis tubulin alpha chain 0.0273 0.334 0.2905
Trypanosoma brucei epsilon tubulin 0.0263 0.3178 0.2732
Echinococcus granulosus tumor protein p63 0.0243 0.2828 0.2359
Leishmania major alpha tubulin 0.0273 0.334 0.2905
Trichomonas vaginalis tubulin beta chain, putative 0.0273 0.334 0.2905
Echinococcus multilocularis tubulin alpha 3 chain 0.0273 0.334 0.2905
Trichomonas vaginalis tubulin alpha chain, putative 0.0149 0.121 0.0636
Mycobacterium leprae cell division protein FtsZ 0.0114 0.0613 0.5
Echinococcus multilocularis hypothetical protein 0.0273 0.334 0.2905
Leishmania major alpha tubulin 0.0273 0.334 0.2905
Leishmania major alpha tubulin 0.0273 0.334 0.2905
Echinococcus granulosus tubulin alpha chain 0.0273 0.334 0.2905
Echinococcus granulosus alpha tubulin 0.0273 0.334 0.2905
Echinococcus granulosus microtubule associated protein 2 0.0588 0.8776 0.8696
Plasmodium vivax tubulin epsilon chain, putative 0.0263 0.3178 0.2732
Echinococcus multilocularis tubulin alpha chain 0.0273 0.334 0.2905
Giardia lamblia Alpha-tubulin 0.0273 0.334 0.2905
Trypanosoma cruzi epsilon tubulin, putative 0.0263 0.3178 0.2732
Plasmodium vivax tubulin alpha chain, putative 0.0273 0.334 0.2905
Entamoeba histolytica tubulin alpha chain, putative 0.0273 0.334 0.0238
Loa Loa (eye worm) hypothetical protein 0.0273 0.334 0.334
Brugia malayi Tubulin alpha-2 chain 0.0273 0.334 0.334
Trichomonas vaginalis tubulin beta chain, putative 0.0273 0.334 0.2905
Trichomonas vaginalis tubulin alpha chain, putative 0.0263 0.3178 0.2732
Trypanosoma brucei alpha tubulin 0.0273 0.334 0.2905
Trichomonas vaginalis tubulin epsilon chain, putative 0.0273 0.334 0.2905
Schistosoma mansoni tubulin subunit gamma 0.0263 0.3178 0.3124
Trichomonas vaginalis tubulin, putative 0.0149 0.121 0.0636
Brugia malayi Calcitonin receptor-like protein seb-1 0.0122 0.0743 0.0743
Loa Loa (eye worm) tubulin alpha-2 chain 0.0273 0.334 0.334
Trypanosoma cruzi alpha tubulin, putative 0.0273 0.334 0.2905
Trypanosoma brucei epsilon tubulin 0.0263 0.3178 0.2732
Leishmania major alpha tubulin 0.0273 0.334 0.2905
Echinococcus granulosus tubulin alpha 3 chain 0.0273 0.334 0.2905
Schistosoma mansoni alpha tubulin 0.0273 0.334 0.3287
Trypanosoma brucei epsilon tubulin 0.0263 0.3178 0.2732
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0158 0.1372 0.0808
Loa Loa (eye worm) tubulin alpha 2 0.0158 0.1372 0.1372
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0196 0.2022 1
Loa Loa (eye worm) tubulin gamma chain 0.0263 0.3178 0.3178
Echinococcus granulosus tubulin gamma 1 chain 0.0263 0.3178 0.2732
Mycobacterium ulcerans cell division protein FtsZ 0.0114 0.0613 0.5
Plasmodium falciparum tubulin gamma chain 0.0263 0.3178 0.2732
Schistosoma mansoni tubulin subunit alpha 0.0273 0.334 0.3287
Echinococcus multilocularis tubulin alpha 1C chain 0.0273 0.334 0.2905
Echinococcus multilocularis tubulin alpha chain 0.0273 0.334 0.2905
Trichomonas vaginalis tubulin beta chain, putative 0.0273 0.334 0.2905
Loa Loa (eye worm) alpha-tubulin 0.0273 0.334 0.334
Toxoplasma gondii alpha-tubulin I, putative 0.0273 0.334 0.2905
Brugia malayi Tubulin alpha chain 0.0273 0.334 0.334
Echinococcus granulosus tubulin subunit TubB 0.0273 0.334 0.2905
Echinococcus multilocularis tubulin alpha 1C chain 0.0273 0.334 0.2905
Echinococcus multilocularis Tubulin alpha 1 chain 0.0273 0.334 0.2905
Toxoplasma gondii alpha tubulin TUBA1 0.0273 0.334 0.2905
Loa Loa (eye worm) tubulin alpha chain 0.0273 0.334 0.334
Trypanosoma cruzi tubulin gamma chain 0.0263 0.3178 0.2732
Leishmania major alpha tubulin 0.0273 0.334 0.2905
Leishmania major alpha tubulin 0.0273 0.334 0.2905
Trypanosoma brucei alpha tubulin 0.0273 0.334 0.2905
Echinococcus granulosus Tubulin alpha 1 chain 0.0273 0.334 0.2905
Echinococcus multilocularis tubulin alpha chain 0.0273 0.334 0.2905
Echinococcus granulosus tubulin alpha 1C chain 0.0273 0.334 0.2905
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0263 0.3178 0.2732
Trypanosoma brucei beta tubulin 0.0263 0.3178 0.2732
Trichomonas vaginalis tubulin beta chain, putative 0.0273 0.334 0.2905
Brugia malayi tubulin alpha-2 chain 0.0273 0.334 0.334
Echinococcus granulosus tubulin alpha 1C chain 0.0273 0.334 0.2905
Brugia malayi tubulin alpha chain - mouse 0.0273 0.334 0.334
Loa Loa (eye worm) tubulin alpha-3 chain 0.0124 0.0776 0.0776
Echinococcus multilocularis tumor protein p63 0.0243 0.2828 0.2359
Leishmania major epsilon tubulin, putative 0.0263 0.3178 0.2732
Echinococcus granulosus tubulin alpha chain 0.0273 0.334 0.2905
Echinococcus multilocularis Tubulin alpha 1 chain 0.0273 0.334 0.2905
Echinococcus multilocularis tubulin gamma 1 chain 0.0263 0.3178 0.2732
Plasmodium falciparum alpha tubulin 2 0.0273 0.334 0.2905
Loa Loa (eye worm) hypothetical protein 0.0122 0.0743 0.0743
Echinococcus granulosus Tubulin alpha 1 chain 0.0273 0.334 0.2905
Giardia lamblia Alpha-tubulin 0.0273 0.334 0.2905
Leishmania major alpha tubulin 0.0273 0.334 0.2905
Loa Loa (eye worm) tubulin alpha 2 0.0158 0.1372 0.1372
Brugia malayi Tubulin gamma chain 0.0263 0.3178 0.3178
Leishmania major alpha tubulin 0.0273 0.334 0.2905
Leishmania major alpha tubulin 0.0273 0.334 0.2905
Echinococcus multilocularis Tubulin alpha 1 chain 0.0273 0.334 0.2905
Loa Loa (eye worm) tubulin beta chain 0.0114 0.0613 0.0613
Schistosoma mansoni tubulin subunit epsilon 0.0263 0.3178 0.3124
Schistosoma mansoni tubulin subunit alpha 0.0114 0.0613 0.0539
Echinococcus granulosus tubulin epsilon chain 0.0263 0.3178 0.2732
Trichomonas vaginalis tubulin epsilon chain, putative 0.0273 0.334 0.2905
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0273 0.334 0.2905
Schistosoma mansoni tubulin subunit alpha 0.0273 0.334 0.3287
Brugia malayi latrophilin 2 splice variant baaae 0.0083 0.0079 0.0079
Giardia lamblia Gamma tubulin 0.0263 0.3178 0.2732
Trypanosoma brucei alpha tubulin 0.0273 0.334 0.2905
Echinococcus granulosus tubulin alpha chain 0.0273 0.334 0.2905
Echinococcus multilocularis peroxisome assembly protein 26 0.0273 0.334 0.2905
Plasmodium falciparum tubulin epsilon chain, putative 0.0263 0.3178 0.2732
Brugia malayi Tubulin alpha-2 chain 0.0273 0.334 0.334
Trichomonas vaginalis tubulin alpha chain, putative 0.0149 0.121 0.0636
Echinococcus multilocularis tubulin alpha chain 0.0273 0.334 0.2905
Echinococcus granulosus tubulin alpha chain 0.0273 0.334 0.2905
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0158 0.1372 0.1372
Trichomonas vaginalis tubulin gamma chain, putative 0.0263 0.3178 0.2732
Brugia malayi Cell division protein ftsZ 0.0114 0.0613 0.0613
Trichomonas vaginalis tubulin beta chain, putative 0.0149 0.121 0.0636
Echinococcus granulosus tubulin alpha 0.0263 0.3178 0.2732
Schistosoma mansoni microtubule-associated protein tau 0.0588 0.8776 0.8766
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0124 0.0776 0.0173
Schistosoma mansoni alpha tubulin 0.0273 0.334 0.3287
Leishmania major alpha tubulin 0.0273 0.334 0.2905
Plasmodium vivax tubulin alpha chain, putative 0.0273 0.334 0.2905
Brugia malayi Tubulin alpha chain 0.0114 0.0613 0.0613
Plasmodium vivax tubulin gamma chain, putative 0.0263 0.3178 0.2732
Schistosoma mansoni tubulin subunit beta 0.0114 0.0613 0.0539
Brugia malayi alpha-tubulin 0.0273 0.334 0.334
Trypanosoma brucei tubulin gamma chain 0.0263 0.3178 0.2732
Trichomonas vaginalis tubulin alpha chain, putative 0.0149 0.121 0.0636
Leishmania major alpha tubulin 0.0273 0.334 0.2905
Loa Loa (eye worm) hypothetical protein 0.0083 0.0079 0.0079
Plasmodium falciparum alpha tubulin 1 0.0273 0.334 0.2905
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0122 0.0743 0.0743
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0122 0.0743 0.0743
Leishmania major gamma-tubulin 0.0263 0.3178 0.2732
Schistosoma mansoni tubulin subunit delta 0.0114 0.0613 0.0539
Echinococcus granulosus Tubulin alpha 1 chain 0.0273 0.334 0.2905
Echinococcus multilocularis tubulin alpha 0.0263 0.3178 0.2732
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0149 0.121 0.0636
Trypanosoma brucei alpha tubulin, putative 0.0149 0.121 0.0636
Trichomonas vaginalis tubulin beta chain, putative 0.0273 0.334 0.2905
Echinococcus multilocularis tubulin alpha 3 chain 0.0273 0.334 0.2905
Loa Loa (eye worm) alpha-tubulin 0.0273 0.334 0.334
Loa Loa (eye worm) hypothetical protein 0.0124 0.0776 0.0776
Echinococcus multilocularis tubulin epsilon chain 0.0263 0.3178 0.2732
Echinococcus granulosus peroxisome assembly protein 26 0.0273 0.334 0.2905
Loa Loa (eye worm) hypothetical protein 0.0158 0.1372 0.1372
Echinococcus granulosus tubulin alpha chain 0.0273 0.334 0.2905
Loa Loa (eye worm) tubulin alpha chain 0.0273 0.334 0.334
Trichomonas vaginalis tubulin gamma chain, putative 0.0263 0.3178 0.2732

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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