TDR Targets

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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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0149	0.121	0.0636
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0114	0.0613	0.5
Trypanosoma brucei	alpha tubulin, putative	0.0149	0.121	0.0636
Loa Loa (eye worm)	tubulin alpha 2	0.0158	0.1372	0.1372
Giardia lamblia	Alpha-tubulin	0.0273	0.334	0.2905
Trypanosoma brucei	alpha tubulin	0.0273	0.334	0.2905
Trypanosoma cruzi	alpha tubulin, putative	0.0273	0.334	0.2905
Echinococcus multilocularis	tubulin alpha chain	0.0273	0.334	0.2905
Onchocerca volvulus		0.0149	0.121	0.5
Plasmodium falciparum	alpha tubulin 2	0.0273	0.334	0.2905
Echinococcus multilocularis	peroxisome assembly protein 26	0.0273	0.334	0.2905
Plasmodium falciparum	tubulin gamma chain	0.0263	0.3178	0.2732
Echinococcus granulosus	tubulin alpha 3 chain	0.0273	0.334	0.2905
Trichomonas vaginalis	tubulin beta chain, putative	0.0273	0.334	0.2905
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0273	0.334	0.334
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0273	0.334	0.2905
Echinococcus granulosus	tubulin alpha chain	0.0273	0.334	0.2905
Brugia malayi	Tubulin beta chain	0.0149	0.121	0.121
Schistosoma mansoni	alpha tubulin	0.0273	0.334	0.3287
Echinococcus multilocularis	tubulin alpha chain	0.0273	0.334	0.2905
Trichomonas vaginalis	tubulin alpha chain, putative	0.0149	0.121	0.0636
Schistosoma mansoni	microtubule-associated protein tau	0.0588	0.8776	0.8766
Leishmania major	alpha tubulin	0.0273	0.334	0.2905
Trypanosoma brucei	tubulin gamma chain	0.0263	0.3178	0.2732
Trichomonas vaginalis	tubulin gamma chain, putative	0.0263	0.3178	0.2732
Leishmania major	alpha tubulin	0.0273	0.334	0.2905
Plasmodium vivax	tubulin alpha chain, putative	0.0273	0.334	0.2905
Trichomonas vaginalis	tubulin beta chain, putative	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
Brugia malayi	tubulin alpha-2 chain	0.0273	0.334	0.334
Schistosoma mansoni	tubulin subunit alpha	0.0273	0.334	0.3287
Echinococcus multilocularis	tubulin subunit TubB	0.0273	0.334	0.2905
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0122	0.0743	0.0743
Toxoplasma gondii	alpha tubulin TUBA1	0.0273	0.334	0.2905
Brugia malayi	Tubulin beta chain	0.0114	0.0613	0.0613
Entamoeba histolytica	tubulin alpha chain, putative	0.0273	0.334	0.0238
Echinococcus granulosus	tubulin alpha chain	0.0273	0.334	0.2905
Echinococcus granulosus	tubulin alpha	0.0263	0.3178	0.2732
Echinococcus multilocularis	tubulin alpha 1C chain	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
Trichomonas vaginalis	tubulin beta chain, putative	0.0273	0.334	0.2905
Loa Loa (eye worm)	tubulin beta chain	0.0114	0.0613	0.0613
Leishmania major	gamma-tubulin	0.0263	0.3178	0.2732
Giardia lamblia	Gamma tubulin	0.0263	0.3178	0.2732
Trypanosoma brucei	beta tubulin	0.0263	0.3178	0.2732
Schistosoma mansoni	alpha tubulin	0.0273	0.334	0.3287
Trichomonas vaginalis	tubulin, putative	0.0149	0.121	0.0636
Giardia lamblia	Alpha-tubulin	0.0273	0.334	0.2905
Echinococcus granulosus	tubulin alpha 1C chain	0.0273	0.334	0.2905
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0196	0.2022	1
Plasmodium vivax	tubulin gamma chain, putative	0.0263	0.3178	0.2732
Echinococcus granulosus	tubulin alpha 1C chain	0.0273	0.334	0.2905
Schistosoma mansoni	tubulin subunit alpha	0.0273	0.334	0.3287
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0158	0.1372	0.0808
Echinococcus granulosus	tubulin epsilon chain	0.0263	0.3178	0.2732
Echinococcus granulosus	microtubule associated protein 2	0.0588	0.8776	0.8696
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0263	0.3178	0.2732
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0122	0.0743	0.0743
Trichomonas vaginalis	tubulin alpha chain, putative	0.0149	0.121	0.0636
Echinococcus granulosus	tumor protein p63	0.0243	0.2828	0.2359
Leishmania major	alpha tubulin	0.0273	0.334	0.2905
Plasmodium vivax	tubulin epsilon chain, putative	0.0263	0.3178	0.2732
Echinococcus granulosus	tubulin alpha 3 chain	0.0273	0.334	0.2905
Trypanosoma brucei	epsilon tubulin	0.0263	0.3178	0.2732
Entamoeba histolytica	tubulin alpha-1 chain	0.0273	0.334	0.0238
Schistosoma mansoni	tubulin subunit epsilon	0.0263	0.3178	0.3124
Echinococcus multilocularis	tubulin alpha 3 chain	0.0273	0.334	0.2905
Trichomonas vaginalis	tubulin gamma chain, putative	0.0263	0.3178	0.2732
Trypanosoma brucei	alpha tubulin	0.0273	0.334	0.2905
Brugia malayi	alpha-tubulin	0.0273	0.334	0.334
Trypanosoma brucei	alpha tubulin	0.0273	0.334	0.2905
Trichomonas vaginalis	tubulin beta chain, putative	0.0149	0.121	0.0636
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0124	0.0776	0.0776
Trichomonas vaginalis	tubulin alpha chain, putative	0.0149	0.121	0.0636
Leishmania major	epsilon tubulin, putative	0.0263	0.3178	0.2732
Schistosoma mansoni	tubulin subunit delta	0.0114	0.0613	0.0539
Plasmodium falciparum	tubulin epsilon chain, putative	0.0263	0.3178	0.2732
Echinococcus multilocularis	tumor protein p63	0.0243	0.2828	0.2359
Toxoplasma gondii	alpha-tubulin I, putative	0.0273	0.334	0.2905
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0079	0.0079
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0273	0.334	0.2905
Echinococcus granulosus	Tubulin alpha 1 chain	0.0273	0.334	0.2905
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 chain	0.0273	0.334	0.2905
Echinococcus multilocularis	tubulin alpha chain	0.0273	0.334	0.2905
Echinococcus granulosus	Tubulin alpha 1 chain	0.0273	0.334	0.2905
Plasmodium falciparum	alpha tubulin 1	0.0273	0.334	0.2905
Loa Loa (eye worm)	tubulin alpha chain	0.0273	0.334	0.334
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0124	0.0776	0.0173
Trypanosoma brucei	epsilon tubulin	0.0263	0.3178	0.2732
Schistosoma mansoni	tubulin subunit alpha	0.0273	0.334	0.3287
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0158	0.1372	0.1372
Echinococcus multilocularis	tubulin alpha 3 chain	0.0273	0.334	0.2905
Echinococcus multilocularis	tubulin alpha	0.0263	0.3178	0.2732
Leishmania major	alpha tubulin	0.0273	0.334	0.2905
Brugia malayi	Cell division protein ftsZ	0.0114	0.0613	0.0613
Leishmania major	alpha tubulin	0.0273	0.334	0.2905
Echinococcus multilocularis	microtubule associated protein 2	0.0588	0.8776	0.8696
Loa Loa (eye worm)	alpha-tubulin	0.0273	0.334	0.334
Schistosoma mansoni	alpha tubulin	0.0273	0.334	0.3287
Echinococcus multilocularis	tubulin alpha chain	0.0273	0.334	0.2905
Brugia malayi	tubulin alpha chain - mouse	0.0273	0.334	0.334
Loa Loa (eye worm)	tubulin gamma chain	0.0263	0.3178	0.3178
Plasmodium vivax	tubulin alpha chain, putative	0.0273	0.334	0.2905
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0776	0.0776
Loa Loa (eye worm)	alpha-tubulin	0.0273	0.334	0.334
Trypanosoma cruzi	tubulin gamma chain	0.0263	0.3178	0.2732
Treponema pallidum	cell division protein FtsZ	0.0114	0.0613	0.5
Echinococcus multilocularis	tubulin alpha 1C chain	0.0273	0.334	0.2905
Mycobacterium leprae	cell division protein FtsZ	0.0114	0.0613	0.5
Leishmania major	alpha tubulin	0.0273	0.334	0.2905
Echinococcus multilocularis	hypothetical protein	0.0273	0.334	0.2905
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0273	0.334	0.2905
Echinococcus granulosus	tubulin gamma 1 chain	0.0263	0.3178	0.2732
Brugia malayi	Tubulin alpha chain	0.0273	0.334	0.334
Schistosoma mansoni	tubulin subunit gamma	0.0263	0.3178	0.3124
Schistosoma mansoni	tubulin subunit alpha	0.0114	0.0613	0.0539
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0743	0.0743
Brugia malayi	Tubulin gamma chain	0.0263	0.3178	0.3178
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1372	0.1372
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0273	0.334	0.2905
Leishmania major	alpha tubulin	0.0273	0.334	0.2905
Trypanosoma cruzi	epsilon tubulin, putative	0.0263	0.3178	0.2732
Echinococcus multilocularis	tubulin alpha chain	0.0273	0.334	0.2905
Brugia malayi	Tubulin alpha chain	0.0114	0.0613	0.0613
Echinococcus granulosus	peroxisome assembly protein 26	0.0273	0.334	0.2905
Trichomonas vaginalis	tubulin alpha chain, putative	0.0263	0.3178	0.2732
Loa Loa (eye worm)	tubulin alpha chain	0.0273	0.334	0.334
Trichomonas vaginalis	tubulin, putative	0.0149	0.121	0.0636
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0273	0.334	0.2905
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0122	0.0743	0.0743
Echinococcus multilocularis	tubulin epsilon chain	0.0263	0.3178	0.2732
Trichomonas vaginalis	tubulin beta chain, putative	0.0273	0.334	0.2905
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0273	0.334	0.2905
Loa Loa (eye worm)	hypothetical protein	0.0273	0.334	0.334
Echinococcus granulosus	Tubulin alpha 1 chain	0.0273	0.334	0.2905
Trypanosoma brucei	alpha tubulin	0.0273	0.334	0.2905
Trypanosoma brucei	epsilon tubulin	0.0263	0.3178	0.2732
Echinococcus granulosus	tubulin alpha chain	0.0273	0.334	0.2905
Leishmania major	alpha tubulin	0.0273	0.334	0.2905
Trypanosoma cruzi	epsilon tubulin, putative	0.0263	0.3178	0.2732
Leishmania major	alpha tubulin	0.0273	0.334	0.2905
Brugia malayi	Tubulin alpha-2 chain	0.0273	0.334	0.334
Mycobacterium ulcerans	cell division protein FtsZ	0.0114	0.0613	0.5
Leishmania major	alpha tubulin	0.0273	0.334	0.2905
Brugia malayi	latrophilin 2 splice variant baaae	0.0083	0.0079	0.0079
Loa Loa (eye worm)	tubulin alpha 2	0.0158	0.1372	0.1372
Schistosoma mansoni	tubulin subunit beta	0.0114	0.0613	0.0539
Trichomonas vaginalis	tubulin beta chain, putative	0.0273	0.334	0.2905
Echinococcus multilocularis	tubulin gamma 1 chain	0.0263	0.3178	0.2732
Echinococcus granulosus	tubulin subunit TubB	0.0273	0.334	0.2905

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.

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

ChEMBL: CHEMBL2159229

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1722935