TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 328.816 | Formula: C17H13ClN2OS
H donors: 0 H acceptors: 1 LogP: 4.43 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)c1cs/c(=N\C(=O)c2ccccc2)/n1C
InChi: 1S/C17H13ClN2OS/c1-20-15(13-8-5-9-14(18)10-13)11-22-17(20)19-16(21)12-6-3-2-4-7-12/h2-11H,1H3/b19-17-
InChiKey: MTGJJMZPYNPVLQ-ZPHPHTNESA-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
Giardia lamblia	Alpha-tubulin	0.0089	0.4487	1
Trypanosoma brucei	alpha tubulin	0.0089	0.4487	1
Trypanosoma cruzi	alpha tubulin, putative	0.0089	0.4487	1
Echinococcus multilocularis	tubulin alpha chain	0.0089	0.4487	0.4487
Trichomonas vaginalis	tubulin beta chain, putative	0.0089	0.4487	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0089	0.4487	1
Trichomonas vaginalis	tubulin beta chain, putative	0.005	0.1044	0.2326
Leishmania major	beta tubulin	0.0089	0.4487	1
Loa Loa (eye worm)	beta-tubulin	0.0089	0.4487	0.4487
Echinococcus multilocularis	tubulin alpha 1C chain	0.0089	0.4487	0.4487
Brugia malayi	beta-tubulin, identical	0.0089	0.4487	0.5379
Entamoeba histolytica	tubulin alpha chain, putative	0.0089	0.4487	0.5
Echinococcus granulosus	tubulin beta 1 chain	0.0089	0.4487	0.4487
Schistosoma mansoni	tubulin subunit gamma	0.0089	0.4487	0.4487
Leishmania major	alpha tubulin	0.0089	0.4487	1
Plasmodium vivax	tubulin gamma chain, putative	0.0089	0.4487	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2861	0.2861
Loa Loa (eye worm)	tubulin beta-1 chain	0.0089	0.4487	0.4487
Trypanosoma brucei	epsilon tubulin	0.0089	0.4487	1
Trypanosoma brucei	beta tubulin	0.0089	0.4487	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0089	0.4487	0.4487
Echinococcus granulosus	serotonin transporter	0.0071	0.2861	0.2861
Loa Loa (eye worm)	BEN-1 protein	0.0089	0.4487	0.4487
Plasmodium falciparum	tubulin beta chain	0.0089	0.4487	1
Leishmania major	beta tubulin	0.0089	0.4487	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0089	0.4487	0.4487
Echinococcus multilocularis	tubulin subunit TubB	0.0089	0.4487	0.4487
Schistosoma mansoni	alpha tubulin	0.0089	0.4487	0.4487
Trichomonas vaginalis	tubulin beta chain, putative	0.0089	0.4487	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0132	0.8342	0.8342
Leishmania major	beta tubulin	0.0089	0.4487	1
Leishmania major	gamma-tubulin	0.0089	0.4487	1
Leishmania major	beta tubulin	0.0089	0.4487	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0089	0.4487	1
Echinococcus granulosus	tubulin subunit TubB	0.0089	0.4487	0.4487
Echinococcus granulosus	beta tubulin	0.0089	0.4487	0.4487
Plasmodium vivax	tubulin beta chain, putative	0.0089	0.4487	1
Trypanosoma brucei	alpha tubulin	0.0089	0.4487	1
Echinococcus granulosus	tubulin alpha chain	0.0089	0.4487	0.4487
Loa Loa (eye worm)	tubulin beta chain	0.0089	0.4487	0.4487
Echinococcus multilocularis	tubulin alpha	0.0089	0.4487	0.4487
Echinococcus multilocularis	tubulin alpha chain	0.0089	0.4487	0.4487
Echinococcus granulosus	Tubulin alpha 1 chain	0.0089	0.4487	0.4487
Echinococcus multilocularis	hypothetical protein	0.0089	0.4487	0.4487
Brugia malayi	Tubulin beta chain	0.005	0.1044	0.1251
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0089	0.4487	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0089	0.4487	1
Trichomonas vaginalis	tubulin, putative	0.005	0.1044	0.2326
Echinococcus multilocularis	tubulin alpha chain	0.0089	0.4487	0.4487
Loa Loa (eye worm)	acetylcholinesterase 1	0.0132	0.8342	0.8342
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2861	0.2861
Echinococcus granulosus	Tubulin beta 2C chain	0.0089	0.4487	0.4487
Loa Loa (eye worm)	hypothetical protein	0.0151	1	1
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0039	0	0.5
Loa Loa (eye worm)	alpha-tubulin	0.0089	0.4487	0.4487
Echinococcus granulosus	Tubulin beta 2C chain	0.0089	0.4487	0.4487
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0089	0.4487	0.4487
Leishmania major	beta tubulin	0.0089	0.4487	1
Loa Loa (eye worm)	tubulin beta-4 chain	0.0089	0.4487	0.4487
Schistosoma mansoni	tubulin subunit alpha	0.0089	0.4487	0.4487
Brugia malayi	Carboxylesterase family protein	0.0132	0.8342	1
Leishmania major	alpha tubulin	0.0089	0.4487	1
Leishmania major	beta tubulin	0.0089	0.4487	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0089	0.4487	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0089	0.4487	0.4487
Echinococcus multilocularis	Tubulin beta 2C chain	0.0089	0.4487	0.4487
Treponema pallidum	sodium- and chloride- dependent transporter	0.0071	0.2861	1
Plasmodium vivax	tubulin alpha chain, putative	0.0089	0.4487	1
Echinococcus multilocularis	tubulin alpha chain	0.0089	0.4487	0.4487
Loa Loa (eye worm)	hypothetical protein	0.0132	0.8342	0.8342
Schistosoma mansoni	tubulin subunit epsilon	0.0089	0.4487	0.4487
Giardia lamblia	Beta tubulin	0.0089	0.4487	1
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.005	0.1044	0.1044
Giardia lamblia	Beta tubulin	0.0089	0.4487	1
Leishmania major	beta tubulin	0.0089	0.4487	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.005	0.1044	0.2326
Entamoeba histolytica	tubulin alpha-1 chain	0.0089	0.4487	0.5
Loa Loa (eye worm)	serotonin transporter b	0.0071	0.2861	0.2861
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0071	0.2861	0.3429
Echinococcus granulosus	tubulin alpha chain	0.0089	0.4487	0.4487
Leishmania major	alpha tubulin	0.0089	0.4487	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0071	0.2861	0.2861
Echinococcus granulosus	tubulin epsilon chain	0.0089	0.4487	0.4487
Echinococcus multilocularis	tubulin alpha 3 chain	0.0089	0.4487	0.4487
Plasmodium falciparum	alpha tubulin 1	0.0089	0.4487	1
Toxoplasma gondii	beta-1 tubulin, putative	0.0089	0.4487	1
Trypanosoma brucei	epsilon tubulin	0.0089	0.4487	1
Brugia malayi	Tubulin alpha chain	0.0089	0.4487	0.5379
Echinococcus multilocularis	acetylcholinesterase	0.0132	0.8342	0.8342
Echinococcus multilocularis	tubulin epsilon chain	0.0089	0.4487	0.4487
Plasmodium vivax	tubulin epsilon chain, putative	0.0089	0.4487	1
Leishmania major	beta tubulin	0.0089	0.4487	1
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0039	0	0.5
Onchocerca volvulus		0.0071	0.2861	1
Echinococcus granulosus	acetylcholinesterase	0.0132	0.8342	0.8342
Toxoplasma gondii	beta-tubulin, putative	0.0089	0.4487	1
Loa Loa (eye worm)	tubulin alpha chain	0.0089	0.4487	0.4487
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0089	0.4487	0.4487
Entamoeba histolytica	tubulin family protein	0.0089	0.4487	0.5
Echinococcus granulosus	tubulin alpha 1C chain	0.0089	0.4487	0.4487
Echinococcus multilocularis	acetylcholinesterase	0.0132	0.8342	0.8342
Echinococcus granulosus	tubulin alpha chain	0.0089	0.4487	0.4487
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.005	0.1044	0.2326
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0151	1	1
Brugia malayi	Tubulin alpha-2 chain	0.0089	0.4487	0.5379
Echinococcus granulosus	tubulin gamma 1 chain	0.0089	0.4487	0.4487
Loa Loa (eye worm)	tubulin gamma chain	0.0089	0.4487	0.4487
Brugia malayi	Tubulin gamma chain	0.0089	0.4487	0.5379
Plasmodium falciparum	tubulin epsilon chain, putative	0.0089	0.4487	1
Leishmania major	beta tubulin	0.0089	0.4487	1
Echinococcus granulosus	tubulin alpha	0.0089	0.4487	0.4487
Loa Loa (eye worm)	alpha-tubulin	0.0089	0.4487	0.4487
Schistosoma mansoni	tubulin subunit beta	0.0089	0.4487	0.4487
Loa Loa (eye worm)	hypothetical protein	0.005	0.1044	0.1044
Leishmania major	alpha tubulin	0.0089	0.4487	1
Leishmania major	beta tubulin	0.0089	0.4487	1
Trypanosoma brucei	beta tubulin	0.0089	0.4487	1
Leishmania major	beta tubulin	0.0089	0.4487	1
Echinococcus multilocularis	serotonin receptor	0.0151	1	1
Leishmania major	alpha tubulin	0.0089	0.4487	1
Trypanosoma brucei	epsilon tubulin	0.0089	0.4487	1
Leishmania major	alpha tubulin	0.0089	0.4487	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.005	0.1044	0.2326
Trichomonas vaginalis	tubulin gamma chain, putative	0.0089	0.4487	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0089	0.4487	1
Loa Loa (eye worm)	tubulin alpha 2	0.005	0.1044	0.1044
Leishmania major	alpha tubulin	0.0089	0.4487	1
Loa Loa (eye worm)	BEN-1 protein	0.0089	0.4487	0.4487
Trypanosoma cruzi	epsilon tubulin, putative	0.0089	0.4487	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0089	0.4487	1
Leishmania major	beta tubulin	0.0089	0.4487	1
Schistosoma mansoni	tubulin subunit alpha	0.0089	0.4487	0.4487
Giardia lamblia	Beta tubulin	0.0089	0.4487	1
Echinococcus granulosus	alpha tubulin	0.0089	0.4487	0.4487
Echinococcus granulosus	tubulin alpha 3 chain	0.0089	0.4487	0.4487
Schistosoma mansoni	sodium/chloride dependent transporter	0.0071	0.2861	0.2861
Brugia malayi	tubulin alpha chain - mouse	0.0089	0.4487	0.5379
Trichomonas vaginalis	tubulin, putative	0.005	0.1044	0.2326
Echinococcus granulosus	Tubulin alpha 1 chain	0.0089	0.4487	0.4487
Leishmania major	alpha tubulin	0.0089	0.4487	1
Toxoplasma gondii	alpha-tubulin I, putative	0.0089	0.4487	1
Plasmodium falciparum	alpha tubulin 2	0.0089	0.4487	1
Leishmania major	beta tubulin	0.0089	0.4487	1
Leishmania major	alpha tubulin	0.0089	0.4487	1
Leishmania major	beta tubulin	0.0089	0.4487	1
Loa Loa (eye worm)	norepinephrine transporter	0.0071	0.2861	0.2861
Echinococcus multilocularis	peroxisome assembly protein 26	0.0089	0.4487	0.4487
Trichomonas vaginalis	tubulin beta chain, putative	0.0089	0.4487	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0089	0.4487	0.4487
Loa Loa (eye worm)	tubulin alpha 2	0.005	0.1044	0.1044
Echinococcus multilocularis	Tubulin beta 2C chain	0.0089	0.4487	0.4487
Loa Loa (eye worm)	tubulin beta-2A chain	0.0089	0.4487	0.4487
Echinococcus multilocularis	tubulin subunit beta	0.0089	0.4487	0.4487
Schistosoma mansoni	alpha tubulin	0.0089	0.4487	0.4487
Trichomonas vaginalis	tubulin alpha chain, putative	0.005	0.1044	0.2326
Schistosoma mansoni	tubulin subunit beta	0.0089	0.4487	0.4487
Echinococcus granulosus	Tubulin beta 2C chain	0.0089	0.4487	0.4487
Leishmania major	beta tubulin	0.0089	0.4487	1
Trichomonas vaginalis	tubulin, putative	0.0089	0.4487	1
Schistosoma mansoni	tubulin subunit beta	0.0089	0.4487	0.4487
Schistosoma mansoni	tubulin subunit beta	0.0089	0.4487	0.4487
Echinococcus granulosus	peroxisome assembly protein 26	0.0089	0.4487	0.4487
Schistosoma mansoni	tubulin subunit alpha	0.0089	0.4487	0.4487
Plasmodium falciparum	tubulin gamma chain	0.0089	0.4487	1
Echinococcus granulosus	carboxylesterase 5A	0.0132	0.8342	0.8342
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0089	0.4487	1
Schistosoma mansoni	tubulin subunit beta	0.0089	0.4487	0.4487
Loa Loa (eye worm)	tubulin alpha chain	0.0089	0.4487	0.4487
Trichomonas vaginalis	tubulin gamma chain, putative	0.0089	0.4487	1
Entamoeba histolytica	tubulin family protein	0.0089	0.4487	0.5
Plasmodium vivax	tubulin alpha chain, putative	0.0089	0.4487	1
Leishmania major	beta tubulin	0.0089	0.4487	1
Echinococcus multilocularis	tubulin alpha chain	0.0089	0.4487	0.4487
Toxoplasma gondii	beta tubulin	0.0089	0.4487	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0089	0.4487	0.4487
Schistosoma mansoni	tubulin subunit beta	0.0089	0.4487	0.4487
Trypanosoma cruzi	beta tubulin, putative	0.0089	0.4487	1
Loa Loa (eye worm)	hypothetical protein	0.0151	1	1
Brugia malayi	Carboxylesterase family protein	0.0132	0.8342	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0089	0.4487	0.4487
Echinococcus multilocularis	serotonin receptor	0.0151	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0089	0.4487	1
Brugia malayi	tubulin alpha-2 chain	0.0089	0.4487	0.5379
Leishmania major	alpha tubulin	0.0089	0.4487	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.8342	0.8342
Echinococcus granulosus	tubulin alpha chain	0.0089	0.4487	0.4487
Brugia malayi	alpha-tubulin	0.0089	0.4487	0.5379
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0071	0.2861	0.2861
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0089	0.4487	1
Mycobacterium ulcerans	cell division protein FtsZ	0.0039	0	0.5
Brugia malayi	Tubulin alpha-2 chain	0.0089	0.4487	0.5379
Echinococcus multilocularis	Tubulin beta 2C chain	0.0089	0.4487	0.4487
Echinococcus multilocularis	serotonin transporter	0.0071	0.2861	0.2861
Trypanosoma brucei	tubulin gamma chain	0.0089	0.4487	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0089	0.4487	0.4487
Echinococcus multilocularis	tubulin beta 1 chain	0.0089	0.4487	0.4487
Echinococcus multilocularis	Tubulin beta 2C chain	0.0089	0.4487	0.4487
Echinococcus multilocularis	tubulin gamma 1 chain	0.0089	0.4487	0.4487
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0089	0.4487	1
Trypanosoma cruzi	tubulin gamma chain	0.0089	0.4487	1
Trypanosoma brucei	alpha tubulin	0.0089	0.4487	1
Leishmania major	alpha tubulin	0.0089	0.4487	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0089	0.4487	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0089	0.4487	0.4487
Leishmania major	epsilon tubulin, putative	0.0089	0.4487	1
Trypanosoma brucei	beta tubulin	0.0089	0.4487	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0089	0.4487	1
Trypanosoma brucei	beta tubulin	0.0089	0.4487	1
Leishmania major	alpha tubulin	0.0089	0.4487	1
Echinococcus granulosus	tubulin subunit beta	0.0089	0.4487	0.4487
Echinococcus granulosus	tubulin beta 4A class IVa	0.0089	0.4487	0.4487
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0089	0.4487	1
Leishmania major	beta tubulin	0.0089	0.4487	1
Giardia lamblia	Alpha-tubulin	0.0089	0.4487	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.005	0.1044	0.2326
Giardia lamblia	Gamma tubulin	0.0089	0.4487	1
Brugia malayi	Tubulin beta-1 chain	0.0089	0.4487	0.5379
Leishmania major	beta tubulin	0.0089	0.4487	1
Mycobacterium leprae	cell division protein FtsZ	0.0039	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0089	0.4487	0.4487
Echinococcus granulosus	Tubulin beta 2C chain	0.0089	0.4487	0.4487
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0089	0.4487	0.4487
Trichomonas vaginalis	tubulin beta chain, putative	0.0089	0.4487	1
Loa Loa (eye worm)	carboxylesterase	0.0132	0.8342	0.8342
Echinococcus multilocularis	carboxylesterase 5A	0.0132	0.8342	0.8342
Trypanosoma brucei	beta tubulin	0.0089	0.4487	1
Echinococcus granulosus	beta tubulin	0.0089	0.4487	0.4487
Echinococcus multilocularis	beta tubulin	0.0089	0.4487	0.4487
Echinococcus granulosus	acetylcholinesterase	0.0132	0.8342	0.8342
Echinococcus multilocularis	beta tubulin	0.0089	0.4487	0.4487
Trypanosoma brucei	alpha tubulin, putative	0.005	0.1044	0.2326
Echinococcus granulosus	tubulin alpha chain	0.0089	0.4487	0.4487
Trypanosoma brucei	alpha tubulin	0.0089	0.4487	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0089	0.4487	0.4487
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2861	0.2861
Entamoeba histolytica	tubulin gamma chain	0.0089	0.4487	0.5
Schistosoma mansoni	alpha tubulin	0.0089	0.4487	0.4487

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.367 uM	Antimigratory activity in human MDA-MB-231 cells after 24 hrs using transwell system by light microscopy	ChEMBL.	25007006
Survival (functional)	= 35.2 %	Cytotoxicity against human MDA-MB-231 cells assessed as survival at 1 uM after 5 days	ChEMBL.	25007006

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	25007006

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: CHEMBL3319340

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 922602