TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 518.434 | Formula: C29H25Cl2N3O2
H donors: 0 H acceptors: 2 LogP: 5.27 Rotable bonds: 5
Rule of 5 violations (Lipinski): 2
SMILES: CO[C@@](c1cncn1C)(c1ccc2c(c1)c(cc(=O)n2C)c1cccc(c1C)Cl)c1ccc(cc1)Cl
InChi: 1S/C29H25Cl2N3O2/c1-18-22(6-5-7-25(18)31)23-15-28(35)34(3)26-13-10-20(14-24(23)26)29(36-4,27-16-32-17-33(27)2)19-8-11-21(30)12-9-19/h5-17H,1-4H3/t29-/m1/s1
InChiKey: URJAQUYCRCFSSV-GDLZYMKVSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	Solute carrier organic anion transporter family	0.00939316	0.0320219	0.0200701
Echinococcus granulosus	tubulin alpha chain	0.125095	0.721932	0.718498
Entamoeba histolytica	tubulin alpha-1 chain	0.125095	0.721932	0.380882
Echinococcus granulosus	Tubulin beta 2C chain	0.171729	1	1
Leishmania major	zeta tubulin, putative	0.0821106	0.465622	0.155262
Loa Loa (eye worm)	tubulin alpha chain	0.125095	0.721932	0.718498
Echinococcus multilocularis	tubulin alpha chain	0.125095	0.721932	0.718498
Loa Loa (eye worm)	hypothetical protein	0.00939316	0.0320219	0.0200701
Trichomonas vaginalis	tubulin beta chain, putative	0.0514408	0.282744	0.0807341
Entamoeba histolytica	tubulin family protein	0.171729	1	1
Echinococcus multilocularis	hypothetical protein	0.125095	0.721932	0.718498
Onchocerca volvulus	Putative organic anion transporter	0.00939316	0.0320219	0.0732786
Loa Loa (eye worm)	alpha-tubulin	0.125095	0.721932	0.718498
Schistosoma mansoni	tubulin subunit alpha	0.0408765	0.219751	0.210117
Plasmodium falciparum	tubulin epsilon chain, putative	0.0963402	0.55047	0.423864
Schistosoma mansoni	tubulin subunit beta	0.171729	1	1
Brugia malayi	Tubulin alpha chain	0.125095	0.721932	0.718498
Leishmania major	alpha tubulin	0.125095	0.721932	0.560433
Schistosoma mansoni	tubulin subunit delta	0.0408765	0.219751	0.210117
Leishmania major	beta tubulin	0.171729	1	1
Leishmania major	alpha tubulin	0.125095	0.721932	0.560433
Loa Loa (eye worm)	tubulin beta chain	0.0408765	0.219751	0.210117
Giardia lamblia	Beta tubulin	0.171729	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.125095	0.721932	0.718498
Loa Loa (eye worm)	hypothetical protein	0.00939316	0.0320219	0.0200701
Echinococcus granulosus	Tubulin alpha 1 chain	0.125095	0.721932	0.718498
Trypanosoma brucei	zeta tubulin	0.0821106	0.465622	0.254969
Toxoplasma gondii	beta-tubulin, putative	0.171729	1	1
Echinococcus granulosus	tubulin alpha chain	0.125095	0.721932	0.718498
Brugia malayi	prostaglandin transporter	0.00939316	0.0320219	0.0200701
Trypanosoma brucei	beta tubulin	0.171729	1	1
Giardia lamblia	Epsilon tubulin	0.0448994	0.243739	0.0307437
Echinococcus multilocularis	tubulin subunit TubB	0.125095	0.721932	0.718498
Plasmodium falciparum	tubulin gamma chain	0.0964063	0.550864	0.424369
Toxoplasma gondii	protease inhibitor PI2	0.00606834	0.0121966	0.0121966
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.00606834	0.0121966	0.0121966
Loa Loa (eye worm)	hypothetical protein	0.00939316	0.0320219	0.0200701
Toxoplasma gondii	beta tubulin	0.171729	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.0842189	0.478193	0.47175
Loa Loa (eye worm)	tubulin alpha 2	0.0842189	0.478193	0.47175
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0448994	0.243739	0.243739
Loa Loa (eye worm)	tubulin gamma chain	0.0964063	0.550864	0.545318
Echinococcus multilocularis	Tubulin beta 2C chain	0.171729	1	1
Trypanosoma brucei	zeta tubulin, putative	0.0821106	0.465622	0.254969
Schistosoma mansoni	tubulin subunit beta	0.171729	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.171729	1	1
Echinococcus granulosus	tubulin beta 1 chain	0.171729	1	1
Trypanosoma brucei	tubulin delta chain	0.0656389	0.367404	0.118034
Echinococcus multilocularis	Tubulin alpha 1 chain	0.125095	0.721932	0.718498
Schistosoma mansoni	alpha tubulin	0.125095	0.721932	0.718498
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.00606834	0.0121966	0.0121966
Leishmania major	beta tubulin	0.171729	1	1
Leishmania major	gamma-tubulin	0.0964063	0.550864	0.290011
Echinococcus granulosus	beta tubulin	0.171729	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.171729	1	1
Onchocerca volvulus	Putative organic anion transporter	0.00939316	0.0320219	0.0732786
Brugia malayi	Tubulin alpha-2 chain	0.125095	0.721932	0.718498
Leishmania major	beta tubulin	0.171729	1	1
Giardia lamblia	Beta tubulin	0.171729	1	1
Echinococcus granulosus	peroxisome assembly protein 26	0.125095	0.721932	0.718498
Onchocerca volvulus		0.00939316	0.0320219	0.0732786
Mycobacterium leprae	cell division protein FtsZ	0.0408765	0.219751	0.5
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.125095	0.721932	0.643616
Echinococcus granulosus	tubulin alpha chain	0.125095	0.721932	0.718498
Echinococcus granulosus	Tubulin beta 2C chain	0.171729	1	1
Schistosoma mansoni	tubulin subunit beta	0.0408765	0.219751	0.210117
Echinococcus multilocularis	Tubulin beta 2C chain	0.171729	1	1
Leishmania major	beta tubulin	0.171729	1	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.171729	1	1
Trypanosoma cruzi	tubulin delta chain	0.0656389	0.367404	0.346477
Brugia malayi	Tubulin beta-1 chain	0.171729	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.125095	0.721932	0.643616
Echinococcus multilocularis	Tubulin alpha 1 chain	0.125095	0.721932	0.718498
Brugia malayi	alpha-tubulin	0.125095	0.721932	0.718498
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0842189	0.478193	0.47175
Trichomonas vaginalis	tubulin beta chain, putative	0.125095	0.721932	0.643616
Trypanosoma brucei	beta tubulin	0.0923173	0.526482	0.339821
Loa Loa (eye worm)	alpha-tubulin	0.125095	0.721932	0.718498
Schistosoma mansoni	alpha tubulin	0.125095	0.721932	0.718498
Brugia malayi	Tubulin beta chain	0.0408765	0.219751	0.210117
Trypanosoma brucei	alpha tubulin	0.125095	0.721932	0.612317
Giardia lamblia	Alpha-tubulin	0.125095	0.721932	0.643616
Trichomonas vaginalis	tubulin alpha chain, putative	0.0514408	0.282744	0.0807341
Trichomonas vaginalis	tubulin beta chain, putative	0.125095	0.721932	0.643616
Leishmania major	alpha tubulin	0.125095	0.721932	0.560433
Echinococcus multilocularis	organic anion transporting polypeptide 30B	0.00939316	0.0320219	0.0200701
Trypanosoma brucei	alpha tubulin	0.125095	0.721932	0.612317
Echinococcus granulosus	Tubulin alpha 1 chain	0.125095	0.721932	0.718498
Echinococcus multilocularis	Tubulin beta 2C chain	0.171729	1	1
Plasmodium vivax	tubulin epsilon chain, putative	0.0963402	0.55047	0.423864
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.171729	1	1
Echinococcus granulosus	tubulin alpha 3 chain	0.125095	0.721932	0.718498
Trichomonas vaginalis	tubulin alpha chain, putative	0.0514408	0.282744	0.0807341
Trichomonas vaginalis	tubulin, putative	0.171729	1	1
Treponema pallidum	cell division protein FtsZ	0.0408765	0.219751	0.5
Giardia lamblia	Beta tubulin	0.171729	1	1
Leishmania major	beta tubulin	0.171729	1	1
Trypanosoma brucei	beta tubulin	0.171729	1	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0656389	0.367404	0.367404
Plasmodium vivax	tubulin alpha chain, putative	0.125095	0.721932	0.643616
Trichomonas vaginalis	tubulin alpha chain, putative	0.0923173	0.526482	0.39312
Giardia lamblia	Alpha-tubulin	0.125095	0.721932	0.643616
Loa Loa (eye worm)	hypothetical protein	0.00939316	0.0320219	0.0200701
Leishmania major	beta tubulin	0.171729	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.0327781	0.171462	0.161232
Trichomonas vaginalis	tubulin beta chain, putative	0.171729	1	1
Onchocerca volvulus		0.0514408	0.282744	1
Brugia malayi	Cell division protein ftsZ	0.0408765	0.219751	0.210117
Brugia malayi	hypothetical protein	0.00939316	0.0320219	0.0200701
Echinococcus multilocularis	tubulin alpha 1C chain	0.125095	0.721932	0.718498
Toxoplasma gondii	alpha-tubulin I, putative	0.125095	0.721932	0.721932
Trichomonas vaginalis	tubulin alpha chain, putative	0.171729	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0736546	0.4152	0.250496
Leishmania major	alpha tubulin	0.125095	0.721932	0.560433
Echinococcus granulosus	beta tubulin	0.171729	1	1
Plasmodium falciparum	alpha tubulin 2	0.125095	0.721932	0.643616
Toxoplasma gondii	beta-1 tubulin, putative	0.171729	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.171729	1	1
Leishmania major	epsilon tubulin, putative	0.0963402	0.55047	0.289389
Schistosoma mansoni	tubulin subunit beta	0.171729	1	1
Toxoplasma gondii	transporter, major facilitator family protein	0.00939316	0.0320219	0.0320219
Echinococcus multilocularis	tubulin alpha	0.0923173	0.526482	0.520636
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.00606834	0.0121966	0.0121966
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0408765	0.219751	0.5
Trypanosoma brucei	epsilon tubulin	0.0963402	0.55047	0.373265
Echinococcus multilocularis	tubulin subunit beta	0.171729	1	1
Leishmania major	alpha tubulin	0.125095	0.721932	0.560433
Echinococcus granulosus	tubulin gamma 1 chain	0.0964063	0.550864	0.545318
Echinococcus multilocularis	tubulin alpha chain	0.125095	0.721932	0.718498
Loa Loa (eye worm)	hypothetical protein	0.00939316	0.0320219	0.0200701
Leishmania major	beta tubulin	0.171729	1	1
Leishmania major	beta tubulin	0.171729	1	1
Echinococcus multilocularis	tubulin alpha chain	0.125095	0.721932	0.718498
Echinococcus multilocularis	beta tubulin	0.171729	1	1
Trypanosoma cruzi	zeta tubulin, putative	0.0821106	0.465622	0.447944
Echinococcus multilocularis	Tubulin alpha 1 chain	0.125095	0.721932	0.718498
Leishmania major	alpha tubulin	0.125095	0.721932	0.560433
Loa Loa (eye worm)	tubulin beta chain	0.171729	1	1
Leishmania major	alpha tubulin	0.125095	0.721932	0.560433
Trichomonas vaginalis	tubulin, putative	0.0514408	0.282744	0.0807341
Onchocerca volvulus		0.00939316	0.0320219	0.0732786
Toxoplasma gondii	alpha tubulin TUBA1	0.125095	0.721932	0.721932
Onchocerca volvulus		0.00939316	0.0320219	0.0732786
Echinococcus granulosus	tubulin alpha	0.0923173	0.526482	0.520636
Leishmania major	alpha tubulin	0.125095	0.721932	0.560433
Echinococcus multilocularis	tubulin alpha 3 chain	0.125095	0.721932	0.718498
Loa Loa (eye worm)	tubulin beta-2A chain	0.171729	1	1
Onchocerca volvulus		0.00939316	0.0320219	0.0732786
Leishmania major	beta tubulin	0.171729	1	1
Brugia malayi	sodium-independent organic anion transporter family protein	0.00939316	0.0320219	0.0200701
Trypanosoma cruzi	tubulin delta chain	0.0656389	0.367404	0.346477
Echinococcus multilocularis	peroxisome assembly protein 26	0.125095	0.721932	0.718498
Onchocerca volvulus		0.00939316	0.0320219	0.0732786
Trypanosoma cruzi	zeta tubulin, putative	0.0821106	0.465622	0.447944
Echinococcus granulosus	tubulin alpha chain	0.125095	0.721932	0.718498
Echinococcus multilocularis	tubulin gamma 1 chain	0.0964063	0.550864	0.545318
Trypanosoma cruzi	beta tubulin, putative	0.171729	1	1
Plasmodium vivax	tubulin beta chain, putative	0.171729	1	1
Schistosoma mansoni	tubulin subunit beta	0.171729	1	1
Trypanosoma cruzi	alpha tubulin, putative	0.125095	0.721932	0.712733
Mycobacterium ulcerans	cell division protein FtsZ	0.0408765	0.219751	0.5
Loa Loa (eye worm)	tubulin alpha chain	0.125095	0.721932	0.718498
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0842189	0.478193	0.33123
Echinococcus granulosus	tubulin subunit beta	0.171729	1	1
Echinococcus multilocularis	tubulin delta chain	0.0408765	0.219751	0.210117
Leishmania major	beta tubulin	0.171729	1	1
Loa Loa (eye worm)	hypothetical protein	0.0736546	0.4152	0.40798
Leishmania major	beta tubulin	0.171729	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.171729	1	1
Loa Loa (eye worm)	hypothetical protein	0.0842189	0.478193	0.47175
Leishmania major	alpha tubulin	0.125095	0.721932	0.560433
Echinococcus granulosus	tubulin alpha chain	0.125095	0.721932	0.718498
Echinococcus granulosus	tubulin alpha 1C chain	0.125095	0.721932	0.718498
Brugia malayi	sodium-independent organic anion transporter family protein	0.00939316	0.0320219	0.0200701
Trichomonas vaginalis	tubulin gamma chain, putative	0.0964063	0.550864	0.424369
Brugia malayi	tubulin alpha-2 chain	0.125095	0.721932	0.718498
Trichomonas vaginalis	tubulin beta chain, putative	0.125095	0.721932	0.643616
Loa Loa (eye worm)	BEN-1 protein	0.171729	1	1
Echinococcus multilocularis	tubulin alpha chain	0.125095	0.721932	0.718498
Loa Loa (eye worm)	beta-tubulin	0.171729	1	1
Echinococcus granulosus	Solute carrier organic anion transporter family	0.00939316	0.0320219	0.0200701
Leishmania major	alpha tubulin	0.125095	0.721932	0.560433
Brugia malayi	Tubulin alpha chain	0.0408765	0.219751	0.210117
Trichomonas vaginalis	tubulin epsilon chain, putative	0.171729	1	1
Plasmodium falciparum	alpha tubulin 1	0.125095	0.721932	0.643616
Leishmania major	alpha tubulin	0.125095	0.721932	0.560433
Trypanosoma brucei	alpha tubulin	0.125095	0.721932	0.612317
Trichomonas vaginalis	tubulin beta chain, putative	0.125095	0.721932	0.643616
Schistosoma mansoni	tubulin subunit alpha	0.125095	0.721932	0.718498
Trypanosoma brucei	beta tubulin	0.171729	1	1
Brugia malayi	Tubulin gamma chain	0.0964063	0.550864	0.545318
Trichomonas vaginalis	tubulin gamma chain, putative	0.0963402	0.55047	0.423864
Echinococcus granulosus	tubulin epsilon chain	0.0963402	0.55047	0.54492
Trypanosoma brucei	epsilon tubulin	0.0923173	0.526482	0.339821
Trypanosoma brucei	tubulin gamma chain	0.0964063	0.550864	0.373814
Trypanosoma cruzi	epsilon tubulin, putative	0.0963402	0.55047	0.535599
Leishmania major	beta tubulin	0.171729	1	1
Schistosoma mansoni	tubulin subunit epsilon	0.0963402	0.55047	0.54492
Echinococcus multilocularis	Tubulin beta 2C chain	0.171729	1	1
Leishmania major	alpha tubulin	0.125095	0.721932	0.560433
Trichomonas vaginalis	tubulin beta chain, putative	0.125095	0.721932	0.643616
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.00606834	0.0121966	0.0121966
Echinococcus granulosus	tubulin alpha 3 chain	0.125095	0.721932	0.718498
Leishmania major	beta tubulin	0.171729	1	1
Plasmodium falciparum	tubulin beta chain	0.171729	1	1
Echinococcus granulosus	tubulin alpha 1C chain	0.125095	0.721932	0.718498
Echinococcus granulosus	organic anion transporting polypeptide 30B	0.00939316	0.0320219	0.0200701
Echinococcus multilocularis	Tubulin beta 2C chain	0.171729	1	1
Trichomonas vaginalis	tubulin, putative	0.0449655	0.244133	0.0312486
Echinococcus granulosus	Tubulin alpha 1 chain	0.125095	0.721932	0.718498
Loa Loa (eye worm)	sodium-independent organic anion transporter	0.00939316	0.0320219	0.0200701
Leishmania major	beta tubulin	0.171729	1	1
Schistosoma mansoni	tubulin subunit beta	0.171729	1	1
Trypanosoma brucei	alpha tubulin	0.125095	0.721932	0.612317
Loa Loa (eye worm)	hypothetical protein	0.00939316	0.0320219	0.0200701
Schistosoma mansoni	tubulin subunit alpha	0.125095	0.721932	0.718498
Entamoeba histolytica	tubulin alpha chain, putative	0.125095	0.721932	0.380882
Trypanosoma brucei	epsilon tubulin	0.0963402	0.55047	0.373265
Trypanosoma brucei	beta tubulin	0.171729	1	1
Echinococcus multilocularis	tubulin epsilon chain	0.0963402	0.55047	0.54492
Plasmodium vivax	tubulin gamma chain, putative	0.0964063	0.550864	0.424369
Schistosoma mansoni	organic anion transporter	0.00939316	0.0320219	0.0200701
Trichomonas vaginalis	tubulin epsilon chain, putative	0.125095	0.721932	0.643616
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0408765	0.219751	0.5
Loa Loa (eye worm)	BEN-1 protein	0.171729	1	1
Loa Loa (eye worm)	tubulin beta-4 chain	0.171729	1	1
Brugia malayi	hypothetical protein	0.00939316	0.0320219	0.0200701
Plasmodium vivax	tubulin alpha chain, putative	0.125095	0.721932	0.643616
Loa Loa (eye worm)	hypothetical protein	0.00939316	0.0320219	0.0200701
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0736546	0.4152	0.40798
Brugia malayi	tubulin alpha chain - mouse	0.125095	0.721932	0.718498
Trichomonas vaginalis	tubulin epsilon chain, putative	0.125095	0.721932	0.643616
Schistosoma mansoni	tubulin subunit alpha	0.125095	0.721932	0.718498
Echinococcus multilocularis	beta tubulin	0.171729	1	1
Echinococcus granulosus	tubulin beta 4A class IVa	0.171729	1	1
Echinococcus multilocularis	tubulin beta 1 chain	0.171729	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.125095	0.721932	0.718498
Echinococcus granulosus	Tubulin beta 2C chain	0.171729	1	1
Giardia lamblia	Gamma tubulin	0.0964063	0.550864	0.424369
Trichomonas vaginalis	tubulin alpha chain, putative	0.0514408	0.282744	0.0807341
Echinococcus granulosus	tubulin subunit TubB	0.125095	0.721932	0.718498
Leishmania major	beta tubulin	0.171729	1	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0963402	0.55047	0.535599
Loa Loa (eye worm)	tubulin alpha-2 chain	0.125095	0.721932	0.718498
Loa Loa (eye worm)	hypothetical protein	0.125095	0.721932	0.718498
Onchocerca volvulus	Putative organic anion transporter	0.00939316	0.0320219	0.0732786
Echinococcus granulosus	alpha tubulin	0.125095	0.721932	0.718498
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0514408	0.282744	0.0807341
Schistosoma mansoni	tubulin subunit gamma	0.0964063	0.550864	0.545318
Schistosoma mansoni	tubulin subunit beta	0.171729	1	1
Trypanosoma cruzi	tubulin gamma chain	0.0964063	0.550864	0.536006
Leishmania major	beta tubulin	0.171729	1	1
Echinococcus multilocularis	tubulin alpha chain	0.125095	0.721932	0.718498
Schistosoma mansoni	organic anion transporter	0.00939316	0.0320219	0.0200701
Brugia malayi	Tubulin beta chain	0.0514408	0.282744	0.273888
Leishmania major	beta tubulin	0.171729	1	1
Echinococcus granulosus	tubulin delta chain	0.0408765	0.219751	0.210117
Brugia malayi	Tubulin alpha-2 chain	0.125095	0.721932	0.718498
Schistosoma mansoni	alpha tubulin	0.125095	0.721932	0.718498
Brugia malayi	sodium-independent organic anion transporter family protein	0.00939316	0.0320219	0.0200701
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0923173	0.526482	0.526482
Brugia malayi	beta-tubulin, identical	0.171729	1	1
Leishmania major	beta tubulin	0.171729	1	1
Entamoeba histolytica	tubulin family protein	0.171729	1	1
Trichomonas vaginalis	tubulin, putative	0.0514408	0.282744	0.0807341

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		Antitrypanosomal activity against Trypanosoma cruzi Tulahuen trypomastigotes infected in BALB/c mouse assessed as suppression of parasitemia at 100 mg/kg, po after 7 days of infection for 8 to 27 days measured weekly for 8 weeks by microscopy	ChEMBL.	19239254
Activity (functional)		Antitrypanosomal activity against Trypanosoma cruzi Tulahuen trypomastigotes infected in BALB/c mouse assessed as suppression of parasitemia in blood culture at 100 mg/kg, po twice a day after 7 days of infection for 8 to 13 days and 50 mg/kg, po for 14 to 27 days measured after 100 days by microscopy	ChEMBL.	19239254
Activity (functional)		Antitrypanosomal activity against Trypanosoma cruzi Tulahuen trypomastigotes infected in BALB/c mouse assessed as suppression of parasitemia at 100 mg/kg, po twice a day after 7 days of infection for 8 to 13 days and 50 mg/kg, po for 14 to 27 days measured weekly for 8 weeks by microscopy	ChEMBL.	19239254
Activity (binding)	= 0.62	Inhibition of Trypanosoma cruzi recombinant sterol 14-alpha-demethylase assessed as drug/enzyme molar ratio required to produce 50 percent decrease in turnover number	ChEMBL.	19239254
Activity (binding)	= 48	Inhibition of human sterol 14-alpha-demethylase assessed as drug/enzyme molar ratio required to produce 50 percent decrease in turnover number	ChEMBL.	19239254
Cmax (ADMET)	= 5 uM	Cmax in BALB/c mouse at 50 mg/kg, po	ChEMBL.	19239254
EC50 (functional)	= 0.6 nM	Antitrypanosomal activity against Trypanosoma cruzi Tulahuen amastigotes expressing beta-galactosidase in mouse 3T3 fibroblast after 7 days by alamar blue assay	ChEMBL.	19239254
IC50 (ADMET)	= 870 nM	Inhibition of human recombinant CYP3A4	ChEMBL.	19239254
T1/2 (ADMET)	= 4 hr	Elimination half life in BALB/c mouse at 50 mg/kg, po	ChEMBL.	19239254

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Trypanosoma cruzi	ChEMBL23	19239254

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: CHEMBL471195

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 977118