TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 390.452 | Formula: C23H18O4S
H donors: 2 H acceptors: 4 LogP: 5.35 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C1c2cc(ccc2C(=O)c2c1cc(O)c(c2)O)Sc1ccc(cc1)C(C)C
InChi: 1S/C23H18O4S/c1-12(2)13-3-5-14(6-4-13)28-15-7-8-16-17(9-15)23(27)19-11-21(25)20(24)10-18(19)22(16)26/h3-12,24-25H,1-2H3
InChiKey: LMCZCWWAGOARCM-UHFFFAOYSA-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	B-cell CLL/lymphoma 2	Starlite/ChEMBL	References
Homo sapiens	myeloid cell leukemia 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	Get druggable targets OG5_139665	All targets in OG5_139665
Echinococcus granulosus	EGFP:Bcl2 fusion protein	Get druggable targets OG5_139665	All targets in OG5_139665

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
Echinococcus multilocularis	mitogen activated protein kinase	0.0105	0.069	0.0964
Echinococcus multilocularis	peroxisome assembly protein 26	0.0213	0.1528	0.2136
Loa Loa (eye worm)	hypothetical protein	0.0405	0.3024	0.298
Trypanosoma brucei	beta tubulin	0.0213	0.1528	1
Leishmania major	beta tubulin	0.0213	0.1528	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0213	0.1528	0.2136
Schistosoma mansoni	coup transcription factor	0.0767	0.5842	0.6619
Loa Loa (eye worm)	hypothetical protein	0.0767	0.5842	0.5816
Loa Loa (eye worm)	AUR protein kinase	0.0117	0.0777	0.0718
Echinococcus granulosus	ecdysone induced protein 78C	0.0767	0.5842	0.8167
Trichomonas vaginalis	CMGC family protein kinase	0.0105	0.069	0.1067
Loa Loa (eye worm)	tubulin gamma chain	0.0213	0.1528	0.1474
Leishmania major	beta tubulin	0.0213	0.1528	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0767	0.5842	0.5816
Brugia malayi	Tubulin beta chain	0.012	0.0808	0.0749
Schistosoma mansoni	hypothetical protein	0.0167	0.1167	0.1323
Entamoeba histolytica	tubulin gamma chain	0.0213	0.1528	1
Brugia malayi	Tubulin beta-1 chain	0.0213	0.1528	0.1474
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0167	0.1167	0.1111
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0767	0.5842	0.5816
Brugia malayi	nuclear hormone receptor family member odr-7	0.0362	0.2687	0.264
Loa Loa (eye worm)	hypothetical protein	0.0213	0.1528	0.1474
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.004	0.0181	0.0253
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0767	0.5842	0.8167
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0213	0.1528	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.012	0.0808	0.2326
Echinococcus multilocularis	tyrosine protein kinase Blk	0.004	0.0181	0.0253
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0767	0.5842	0.8167
Loa Loa (eye worm)	hypothetical protein	0.0362	0.2687	0.264
Echinococcus multilocularis	tubulin alpha chain	0.0213	0.1528	0.2136
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0362	0.2687	0.264
Schistosoma mansoni	paired box protein pax-6	0.0025	0.0063	0.0071
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0117	0.0777	0.4639
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0222	0.16	0.2237
Entamoeba histolytica	protein kinase , putative	0.0117	0.0777	0.4639
Schistosoma mansoni	tubulin subunit beta	0.0213	0.1528	0.1731
Brugia malayi	hypothetical protein	0.0362	0.2687	0.264
Echinococcus granulosus	mitogen activated protein kinase	0.0105	0.069	0.0964
Toxoplasma gondii	beta-1 tubulin, putative	0.0213	0.1528	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0047	0.0234	0.0327
Trypanosoma brucei	aurora B kinase	0.0117	0.0777	0.1996
Loa Loa (eye worm)	alpha-tubulin	0.0213	0.1528	0.1474
Echinococcus granulosus	tubulin alpha chain	0.0213	0.1528	0.2136
Loa Loa (eye worm)	hypothetical protein	0.0767	0.5842	0.5816
Loa Loa (eye worm)	hypothetical protein	0.0767	0.5842	0.5816
Brugia malayi	Cell division protein ftsZ	0.0092	0.0589	0.053
Echinococcus multilocularis	paired box protein pax 1	0.0025	0.0063	0.0088
Trichomonas vaginalis	AGC family protein kinase	0.0117	0.0777	0.1996
Leishmania major	beta tubulin	0.0213	0.1528	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0767	0.5842	0.8167
Schistosoma mansoni	paired box protein pax-1-related	0.0025	0.0063	0.0071
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0767	0.5842	0.8167
Schistosoma mansoni	tyrosine kinase	0.0215	0.1546	0.1751
Echinococcus multilocularis	tubulin alpha chain	0.0213	0.1528	0.2136
Schistosoma mansoni	tubulin subunit alpha	0.0213	0.1528	0.1731
Echinococcus granulosus	tubulin alpha chain	0.0213	0.1528	0.2136
Loa Loa (eye worm)	tubulin beta-2A chain	0.0213	0.1528	0.1474
Leishmania major	epsilon tubulin, putative	0.0213	0.1528	1
Loa Loa (eye worm)	hypothetical protein	0.0362	0.2687	0.264
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0767	0.5842	0.5816
Echinococcus multilocularis	tubulin alpha 3 chain	0.0213	0.1528	0.2136
Schistosoma mansoni	serine/threonine protein kinase	0.0105	0.069	0.0781
Leishmania major	beta tubulin	0.0213	0.1528	1
Brugia malayi	ecdysone receptor	0.0362	0.2687	0.264
Brugia malayi	nuclear receptor NHR-88	0.0767	0.5842	0.5816
Trypanosoma cruzi	aurora B kinase, putative	0.0117	0.0777	0.1996
Echinococcus multilocularis	beta tubulin	0.0213	0.1528	0.2136
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0589	0.053
Brugia malayi	tubulin alpha chain - mouse	0.0213	0.1528	0.1474
Echinococcus multilocularis	tubulin gamma 1 chain	0.0213	0.1528	0.2136
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0105	0.069	0.1067
Trypanosoma brucei	beta tubulin	0.0213	0.1528	1
Loa Loa (eye worm)	hypothetical protein	0.0405	0.3024	0.298
Loa Loa (eye worm)	hypothetical protein	0.0362	0.2687	0.264
Giardia lamblia	Aurora kinase	0.0117	0.0777	0.1996
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0362	0.2687	0.264
Loa Loa (eye worm)	hypothetical protein	0.0405	0.3024	0.298
Echinococcus granulosus	beta tubulin	0.0213	0.1528	0.2136
Leishmania major	alpha tubulin	0.0213	0.1528	1
Onchocerca volvulus	Bile acid receptor homolog	0.0767	0.5842	0.5816
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0047	0.0234	0.0327
Echinococcus granulosus	tyrosine protein kinase HCK	0.0033	0.0126	0.0177
Echinococcus granulosus	tubulin epsilon chain	0.0213	0.1528	0.2136
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0117	0.0777	0.1996
Schistosoma mansoni	tubulin subunit epsilon	0.0213	0.1528	0.1731
Echinococcus multilocularis	paired box protein pax 6	0.0025	0.0063	0.0088
Entamoeba histolytica	tubulin alpha chain, putative	0.0213	0.1528	1
Plasmodium vivax	tubulin alpha chain, putative	0.0213	0.1528	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.0105	0.069	0.0964
Schistosoma mansoni	alpha tubulin	0.0213	0.1528	0.1731
Echinococcus granulosus	tyrosine kinase	0.004	0.0181	0.0253
Trypanosoma brucei	alpha tubulin	0.0213	0.1528	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0767	0.5842	0.8167
Schistosoma mansoni	alpha tubulin	0.0213	0.1528	0.1731
Trypanosoma brucei	alpha tubulin, putative	0.012	0.0808	0.2326
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0117	0.0777	0.4639
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0362	0.2687	0.264
Brugia malayi	steroid hormone receptor	0.0767	0.5842	0.5816
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0047	0.0234	0.0327
Leishmania major	alpha tubulin	0.0213	0.1528	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0362	0.2687	0.264
Plasmodium falciparum	tubulin gamma chain	0.0213	0.1528	1
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0117	0.0777	0.1086
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0767	0.5842	0.5816
Schistosoma mansoni	thyroid hormone receptor	0.0767	0.5842	0.6619
Schistosoma mansoni	tubulin subunit beta	0.0213	0.1528	0.1731
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0405	0.3024	0.3427
Trichomonas vaginalis	tubulin gamma chain, putative	0.0213	0.1528	1
Loa Loa (eye worm)	hypothetical protein	0.0767	0.5842	0.5816
Giardia lamblia	Beta tubulin	0.0213	0.1528	1
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0117	0.0777	0.1086
Brugia malayi	Nuclear hormone receptor-like 1	0.0405	0.3024	0.298
Plasmodium falciparum	tubulin beta chain	0.0213	0.1528	1
Echinococcus granulosus	tubulin delta chain	0.0092	0.0589	0.0824
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0105	0.069	0.1067
Giardia lamblia	Alpha-tubulin	0.0213	0.1528	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0213	0.1528	0.2136
Plasmodium vivax	tubulin beta chain, putative	0.0213	0.1528	1
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0213	0.1528	0.2136
Trichomonas vaginalis	AGC family protein kinase	0.0117	0.0777	0.1996
Echinococcus granulosus	Tubulin alpha 1 chain	0.0213	0.1528	0.2136
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0767	0.5842	0.8167
Echinococcus multilocularis	paired box protein pax 6	0.0025	0.0063	0.0088
Echinococcus granulosus	Tubulin alpha 1 chain	0.0213	0.1528	0.2136
Echinococcus granulosus	tubulin alpha chain	0.0213	0.1528	0.2136
Brugia malayi	serine/threonine protein kinase 6	0.0117	0.0777	0.0718
Trypanosoma brucei	beta tubulin	0.0213	0.1528	1
Echinococcus granulosus	tubulin alpha	0.0213	0.1528	0.2136
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0935	0.7153	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0362	0.2687	0.3756
Schistosoma mansoni	tyrosine kinase	0.0047	0.0234	0.0265
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0105	0.069	0.1067
Loa Loa (eye worm)	hypothetical protein	0.0362	0.2687	0.264
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0047	0.0234	0.0327
Leishmania major	beta tubulin	0.0213	0.1528	1
Brugia malayi	nuclear receptor RXR	0.0405	0.3024	0.298
Leishmania major	alpha tubulin	0.0213	0.1528	1
Schistosoma mansoni	apoptosis regulator bax	0.0167	0.1167	0.1323
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0767	0.5842	0.5816
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0767	0.5842	0.5816
Onchocerca volvulus		0.0362	0.2687	0.264
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0362	0.2687	0.3044
Trypanosoma cruzi	tubulin gamma chain	0.0213	0.1528	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0105	0.069	0.1067
Leishmania major	beta tubulin	0.0213	0.1528	1
Loa Loa (eye worm)	apoptosis regulator protein	0.0167	0.1167	0.1111
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0767	0.5842	0.5816
Trypanosoma cruzi	beta tubulin, putative	0.0213	0.1528	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0362	0.2687	0.3756
Loa Loa (eye worm)	hypothetical protein	0.0362	0.2687	0.264
Toxoplasma gondii	beta-tubulin, putative	0.0213	0.1528	1
Loa Loa (eye worm)	hypothetical protein	0.0362	0.2687	0.264
Leishmania major	alpha tubulin	0.0213	0.1528	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0767	0.5842	0.5816
Brugia malayi	hypothetical protein	0.0405	0.3024	0.298
Loa Loa (eye worm)	hypothetical protein	0.0405	0.3024	0.298
Brugia malayi	Tubulin alpha chain	0.0092	0.0589	0.053
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0047	0.0234	0.0327
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0092	0.0589	0.5
Leishmania major	beta tubulin	0.0213	0.1528	1
Brugia malayi	tailless protein	0.0362	0.2687	0.264
Schistosoma mansoni	nuclear receptor nhr-48	0.0362	0.2687	0.3044
Schistosoma mansoni	nuclear hormone receptor	0.0362	0.2687	0.3044
Trypanosoma brucei	beta tubulin	0.0213	0.1528	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0047	0.0234	0.0327
Giardia lamblia	Gamma tubulin	0.0213	0.1528	1
Giardia lamblia	Beta tubulin	0.0213	0.1528	1
Leishmania major	beta tubulin	0.0213	0.1528	1
Entamoeba histolytica	tubulin family protein	0.0213	0.1528	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0405	0.3024	0.4228
Trichomonas vaginalis	tubulin gamma chain, putative	0.0213	0.1528	1
Brugia malayi	Steroid receptor seven-up type 2	0.0767	0.5842	0.5816
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0767	0.5842	0.5816
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0047	0.0234	0.0327
Loa Loa (eye worm)	steroid hormone receptor	0.0767	0.5842	0.5816
Entamoeba histolytica	tubulin family protein	0.0213	0.1528	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0213	0.1528	0.2136
Echinococcus multilocularis	tubulin delta chain	0.0092	0.0589	0.0824
Echinococcus granulosus	paired box protein pax 6	0.0025	0.0063	0.0088
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0105	0.069	0.0964
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0767	0.5842	0.6619
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0767	0.5842	0.5816
Echinococcus multilocularis	tubulin alpha chain	0.0213	0.1528	0.2136
Trypanosoma brucei	beta tubulin	0.0213	0.1528	1
Brugia malayi	conserved hypotetical protein	0.0362	0.2687	0.264
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0767	0.5842	0.8167
Loa Loa (eye worm)	beta-tubulin	0.0213	0.1528	0.1474
Plasmodium falciparum	alpha tubulin 1	0.0213	0.1528	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0767	0.5842	0.6619
Echinococcus multilocularis	tubulin alpha chain	0.0213	0.1528	0.2136
Plasmodium falciparum	alpha tubulin 2	0.0213	0.1528	1
Schistosoma mansoni	serine/threonine protein kinase	0.0117	0.0777	0.088
Brugia malayi	nuclear receptor RXR	0.0362	0.2687	0.264
Echinococcus granulosus	Tubulin beta 2C chain	0.0213	0.1528	0.2136
Brugia malayi	SRC-1	0.0047	0.0234	0.0172
Schistosoma mansoni	tubulin subunit beta	0.0213	0.1528	0.1731
Schistosoma mansoni	zinc finger protein	0.0362	0.2687	0.3044
Echinococcus granulosus	Tubulin beta 2C chain	0.0213	0.1528	0.2136
Echinococcus granulosus	tubulin alpha chain	0.0213	0.1528	0.2136
Leishmania major	beta tubulin	0.0213	0.1528	1
Loa Loa (eye worm)	hypothetical protein	0.0362	0.2687	0.264
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0047	0.0234	0.0327
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0767	0.5842	0.5816
Trypanosoma brucei	epsilon tubulin	0.0213	0.1528	1
Leishmania major	gamma-tubulin	0.0213	0.1528	1
Leishmania major	beta tubulin	0.0213	0.1528	1
Schistosoma mansoni	tubulin subunit alpha	0.0213	0.1528	0.1731
Loa Loa (eye worm)	tubulin beta-1 chain	0.0213	0.1528	0.1474
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.115	0.8826	1
Schistosoma mansoni	tubulin subunit gamma	0.0213	0.1528	0.1731
Echinococcus multilocularis	nuclear receptor nhr 48	0.0362	0.2687	0.3756
Entamoeba histolytica	protein kinase, putative	0.0117	0.0777	0.4639
Trichomonas vaginalis	CMGC family protein kinase	0.0105	0.069	0.1067
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0033	0.0126	0.0177
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0047	0.0234	0.0327
Brugia malayi	MAP kinase sur-1	0.0105	0.069	0.063
Toxoplasma gondii	aurora kinase	0.0117	0.0777	0.1996
Echinococcus granulosus	alpha tubulin	0.0213	0.1528	0.2136
Trichomonas vaginalis	tubulin beta chain, putative	0.0213	0.1528	1
Schistosoma mansoni	nuclear hormone receptor	0.0767	0.5842	0.6619
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0362	0.2687	0.264
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0362	0.2687	0.3756
Onchocerca volvulus		0.0362	0.2687	0.264
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0767	0.5842	0.5816
Mycobacterium ulcerans	cell division protein FtsZ	0.0092	0.0589	0.5
Loa Loa (eye worm)	TK protein kinase	0.0033	0.0126	0.0064
Leishmania major	beta tubulin	0.0213	0.1528	1
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0167	0.1167	0.1632
Leishmania major	beta tubulin	0.0213	0.1528	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0213	0.1528	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0047	0.0234	0.0327
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0047	0.0234	0.0327
Trichomonas vaginalis	tubulin, putative	0.0213	0.1528	1
Trypanosoma brucei	alpha tubulin	0.0213	0.1528	1
Schistosoma mansoni	nuclear receptor	0.0362	0.2687	0.3044
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0047	0.0234	0.0327
Leishmania major	beta tubulin	0.0213	0.1528	1
Trypanosoma brucei	alpha tubulin	0.0213	0.1528	1
Entamoeba histolytica	protein kinase domain containing protein	0.0117	0.0777	0.4639
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0767	0.5842	0.8167
Brugia malayi	serine/threonine kinase 12	0.0117	0.0777	0.0718
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0767	0.5842	0.8167
Loa Loa (eye worm)	hypothetical protein	0.0362	0.2687	0.264
Loa Loa (eye worm)	SRC-1	0.0047	0.0234	0.0172
Echinococcus multilocularis	Tubulin beta 2C chain	0.0213	0.1528	0.2136
Echinococcus granulosus	paired box protein pax 6	0.0025	0.0063	0.0088
Echinococcus granulosus	paired box gene 3/7 (eyeless, eyegone, twin of eyeless)	0.0025	0.0063	0.0088
Brugia malayi	serine/threonine-protein kinase 6	0.0117	0.0777	0.0718
Leishmania major	beta tubulin	0.0213	0.1528	1
Echinococcus granulosus	peroxisome assembly protein 26	0.0213	0.1528	0.2136
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0767	0.5842	0.5816
Plasmodium falciparum	tubulin epsilon chain, putative	0.0213	0.1528	1
Echinococcus multilocularis	hypothetical protein	0.0213	0.1528	0.2136
Leishmania major	alpha tubulin	0.0213	0.1528	1
Loa Loa (eye worm)	hypothetical protein	0.0767	0.5842	0.5816
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0037	0.0157	0.022
Trichomonas vaginalis	tubulin gamma chain, putative	0.0213	0.1528	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0362	0.2687	0.264
Loa Loa (eye worm)	BEN-1 protein	0.0213	0.1528	0.1474
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0767	0.5842	0.6619
Brugia malayi	orphan nuclear receptor NR2E1	0.0362	0.2687	0.264
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0098	0.0632	0.0884
Echinococcus granulosus	paired box protein pax 1	0.0025	0.0063	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0767	0.5842	0.5816
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0047	0.0234	0.0327
Brugia malayi	Nuclear hormone receptor E75	0.0362	0.2687	0.264
Trypanosoma brucei	epsilon tubulin	0.0213	0.1528	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0362	0.2687	0.3756
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0105	0.069	0.1067
Echinococcus granulosus	tubulin beta 4A class IVa	0.0213	0.1528	0.2136
Trypanosoma brucei	epsilon tubulin	0.0213	0.1528	1
Loa Loa (eye worm)	TK protein kinase	0.004	0.0181	0.0118
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0767	0.5842	0.5816
Echinococcus multilocularis	ecdysone induced protein 78C	0.0767	0.5842	0.8167
Leishmania major	alpha tubulin	0.0213	0.1528	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.0808	0.0749
Echinococcus multilocularis	Tubulin beta 2C chain	0.0213	0.1528	0.2136
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0767	0.5842	0.5816
Trichomonas vaginalis	AGC family protein kinase	0.0117	0.0777	0.1996
Leishmania major	alpha tubulin	0.0213	0.1528	1
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0117	0.0777	0.1996
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0213	0.1528	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0213	0.1528	0.2136
Giardia lamblia	Beta tubulin	0.0213	0.1528	1
Toxoplasma gondii	beta tubulin	0.0213	0.1528	1
Trichomonas vaginalis	CMGC family protein kinase	0.0105	0.069	0.1067
Leishmania major	beta tubulin	0.0213	0.1528	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0213	0.1528	1
Brugia malayi	tubulin alpha-2 chain	0.0213	0.1528	0.1474
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0105	0.069	0.063
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0767	0.5842	0.8167
Giardia lamblia	Kinase, CMGC MAPK	0.0105	0.069	0.1067
Echinococcus multilocularis	aurora kinase A	0.0117	0.0777	0.1086
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0767	0.5842	0.6619
Echinococcus multilocularis	tubulin alpha	0.0213	0.1528	0.2136
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0362	0.2687	0.3756
Loa Loa (eye worm)	alpha-tubulin	0.0213	0.1528	0.1474
Trypanosoma cruzi	alpha tubulin, putative	0.0213	0.1528	1
Brugia malayi	Tyrosine-protein kinase abl-1	0.0131	0.089	0.0832
Brugia malayi	Nuclear hormone receptor-like 1	0.0405	0.3024	0.298
Brugia malayi	alpha-tubulin	0.0213	0.1528	0.1474
Entamoeba histolytica	protein kinase, putative	0.0117	0.0777	0.4639
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0767	0.5842	0.6619
Schistosoma mansoni	tubulin subunit delta	0.0092	0.0589	0.0668
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0092	0.0589	0.053
Trichomonas vaginalis	tubulin, putative	0.012	0.0808	0.2326
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0047	0.0234	0.0327
Brugia malayi	protein-tyrosine kinase	0.004	0.0181	0.0118
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0117	0.0777	0.4639
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0105	0.069	0.1067
Loa Loa (eye worm)	tubulin beta-4 chain	0.0213	0.1528	0.1474
Schistosoma mansoni	nuclear receptor	0.0362	0.2687	0.3044
Schistosoma mansoni	paired box protein pax-6	0.0025	0.0063	0.0071
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0767	0.5842	0.8167
Giardia lamblia	Alpha-tubulin	0.0213	0.1528	1
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0935	0.7153	1
Schistosoma mansoni	tubulin subunit beta	0.0092	0.0589	0.0668
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0362	0.2687	0.3756
Plasmodium vivax	tubulin epsilon chain, putative	0.0213	0.1528	1
Loa Loa (eye worm)	hypothetical protein	0.0405	0.3024	0.298
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0047	0.0234	0.0327
Echinococcus granulosus	FTZ F1 alpha	0.0767	0.5842	0.8167
Echinococcus multilocularis	FTZ F1 alpha	0.0767	0.5842	0.8167
Echinococcus granulosus	tubulin alpha 1C chain	0.0213	0.1528	0.2136
Treponema pallidum	cell division protein FtsZ	0.0092	0.0589	0.5
Echinococcus multilocularis	paired box protein pax 6	0.0025	0.0063	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0362	0.2687	0.264
Leishmania major	beta tubulin	0.0213	0.1528	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0213	0.1528	1
Schistosoma mansoni	nuclear hormone receptor	0.0362	0.2687	0.3044
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0362	0.2687	0.264
Trichomonas vaginalis	tubulin beta chain, putative	0.0213	0.1528	1
Loa Loa (eye worm)	AUR protein kinase	0.0117	0.0777	0.0718
Loa Loa (eye worm)	hypothetical protein	0.0362	0.2687	0.264
Plasmodium vivax	tubulin alpha chain, putative	0.0213	0.1528	1
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0092	0.0589	0.5
Brugia malayi	hypothetical protein	0.0405	0.3024	0.298
Trichomonas vaginalis	tubulin beta chain, putative	0.012	0.0808	0.2326
Echinococcus granulosus	nuclear receptor nhr 48	0.0362	0.2687	0.3756
Brugia malayi	beta-tubulin, identical	0.0213	0.1528	0.1474
Schistosoma mansoni	tubulin subunit alpha	0.0092	0.0589	0.0668
Loa Loa (eye worm)	BEN-1 protein	0.0213	0.1528	0.1474
Echinococcus granulosus	tubulin alpha 1C chain	0.0213	0.1528	0.2136
Schistosoma mansoni	tyrosine kinase	0.0047	0.0234	0.0265
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0037	0.0157	0.022
Brugia malayi	nuclear receptor NHR-67	0.0362	0.2687	0.264
Brugia malayi	ecdysteroid receptor	0.0767	0.5842	0.5816
Schistosoma mansoni	hypothetical protein	0.0167	0.1167	0.1323
Echinococcus multilocularis	Tubulin beta 2C chain	0.0213	0.1528	0.2136
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0213	0.1528	0.2136
Schistosoma mansoni	tubulin subunit beta	0.0213	0.1528	0.1731
Brugia malayi	nuclear receptor NHR-88	0.0362	0.2687	0.264
Brugia malayi	Tubulin alpha-2 chain	0.0213	0.1528	0.1474
Loa Loa (eye worm)	tubulin beta chain	0.0213	0.1528	0.1474
Leishmania major	alpha tubulin	0.0213	0.1528	1
Echinococcus granulosus	tubulin gamma 1 chain	0.0213	0.1528	0.2136
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0049	0.0248	0.0347
Brugia malayi	Tyrosine-protein kinase abl-1	0.0098	0.0632	0.0573
Leishmania major	alpha tubulin	0.0213	0.1528	1
Brugia malayi	Tubulin gamma chain	0.0213	0.1528	0.1474
Echinococcus multilocularis	tubulin subunit TubB	0.0213	0.1528	0.2136
Trichomonas vaginalis	AGC family protein kinase	0.0117	0.0777	0.1996
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0362	0.2687	0.3756
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0405	0.3024	0.298
Echinococcus multilocularis	tubulin alpha 3 chain	0.0213	0.1528	0.2136
Brugia malayi	Nuclear hormone receptor-like 1	0.0767	0.5842	0.5816
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0767	0.5842	0.6619
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.012	0.0808	0.2326
Onchocerca volvulus		0.012	0.0808	0.0749
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0767	0.5842	0.5816
Schistosoma mansoni	thyroid hormone receptor	0.0767	0.5842	0.6619
Trypanosoma brucei	protein kinase, putative	0.0105	0.069	0.1067
Leishmania major	alpha tubulin	0.0213	0.1528	1
Toxoplasma gondii	alpha-tubulin I, putative	0.0213	0.1528	1
Schistosoma mansoni	tubulin subunit beta	0.0213	0.1528	0.1731
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0767	0.5842	0.6619
Echinococcus granulosus	Tubulin beta 2C chain	0.0213	0.1528	0.2136
Plasmodium vivax	tubulin gamma chain, putative	0.0213	0.1528	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0105	0.069	0.1067
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0767	0.5842	0.5816
Echinococcus multilocularis	tubulin alpha chain	0.0213	0.1528	0.2136
Schistosoma mansoni	tubulin subunit beta	0.0213	0.1528	0.1731
Echinococcus granulosus	tubulin subunit beta	0.0213	0.1528	0.2136
Schistosoma mansoni	retinoic acid receptor RXR	0.0767	0.5842	0.6619
Loa Loa (eye worm)	hypothetical protein	0.0362	0.2687	0.264
Loa Loa (eye worm)	tubulin beta chain	0.0092	0.0589	0.053
Trichomonas vaginalis	tubulin alpha chain, putative	0.012	0.0808	0.2326
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0767	0.5842	0.8167
Echinococcus granulosus	beta tubulin	0.0213	0.1528	0.2136
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0167	0.1167	0.1632
Leishmania major	protein kinase, putative	0.0117	0.0777	0.1996
Mycobacterium leprae	cell division protein FtsZ	0.0092	0.0589	0.5
Trichomonas vaginalis	tubulin alpha chain, putative	0.0213	0.1528	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0767	0.5842	0.5816
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0767	0.5842	0.6619
Echinococcus multilocularis	beta tubulin	0.0213	0.1528	0.2136
Loa Loa (eye worm)	hypothetical protein	0.0767	0.5842	0.5816
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0213	0.1528	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0767	0.5842	0.5816
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0213	0.1528	0.1474
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0047	0.0234	0.0327
Loa Loa (eye worm)	TK/ABL protein kinase	0.0222	0.16	0.1547
Loa Loa (eye worm)	DR-78	0.0362	0.2687	0.264
Schistosoma mansoni	tubulin subunit alpha	0.0213	0.1528	0.1731
Onchocerca volvulus		0.0767	0.5842	0.5816
Echinococcus multilocularis	tubulin beta 1 chain	0.0213	0.1528	0.2136
Echinococcus multilocularis	tyrosine protein kinase Srms	0.004	0.0181	0.0253
Leishmania major	beta tubulin	0.0213	0.1528	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0213	0.1528	1
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1167	0.1111
Leishmania major	beta tubulin	0.0213	0.1528	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0767	0.5842	0.5816
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.012	0.0808	0.0749
Echinococcus multilocularis	tubulin subunit beta	0.0213	0.1528	0.2136
Loa Loa (eye worm)	tubulin alpha chain	0.0213	0.1528	0.1474
Trypanosoma brucei	tubulin gamma chain	0.0213	0.1528	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0362	0.2687	0.3756
Schistosoma mansoni	alpha tubulin	0.0213	0.1528	0.1731
Loa Loa (eye worm)	tubulin alpha 2	0.012	0.0808	0.0749
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0767	0.5842	0.5816
Echinococcus multilocularis	tubulin epsilon chain	0.0213	0.1528	0.2136
Brugia malayi	Tubulin beta chain	0.0092	0.0589	0.053
Leishmania major	alpha tubulin	0.0213	0.1528	1
Trichomonas vaginalis	CMGC family protein kinase	0.0105	0.069	0.1067
Loa Loa (eye worm)	tubulin alpha 2	0.012	0.0808	0.0749
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0405	0.3024	0.4228
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0213	0.1528	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0767	0.5842	0.8167
Echinococcus multilocularis	Tubulin beta 2C chain	0.0213	0.1528	0.2136
Schistosoma mansoni	hypothetical protein	0.0167	0.1167	0.1323
Trypanosoma cruzi	epsilon tubulin, putative	0.0213	0.1528	1
Echinococcus granulosus	tubulin subunit TubB	0.0213	0.1528	0.2136
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0105	0.069	0.1067
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0362	0.2687	0.3756
Schistosoma mansoni	protein kinase	0.0117	0.0777	0.088
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0767	0.5842	0.8167
Trichomonas vaginalis	tubulin beta chain, putative	0.0213	0.1528	1
Loa Loa (eye worm)	hypothetical protein	0.0362	0.2687	0.264
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0213	0.1528	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.012	0.0808	0.2326
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0167	0.1167	0.1323
Brugia malayi	photoreceptor-specific nuclear receptor	0.0767	0.5842	0.5816
Loa Loa (eye worm)	hypothetical protein	0.0362	0.2687	0.264
Echinococcus granulosus	tubulin alpha 3 chain	0.0213	0.1528	0.2136
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0213	0.1528	0.2136
Echinococcus granulosus	Tubulin beta 2C chain	0.0213	0.1528	0.2136
Entamoeba histolytica	tubulin alpha-1 chain	0.0213	0.1528	1
Brugia malayi	nuclear hormone receptor	0.0767	0.5842	0.5816
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0213	0.1528	0.2136
Schistosoma mansoni	paired box protein pax-6	0.0025	0.0063	0.0071
Trypanosoma brucei	alpha tubulin	0.0213	0.1528	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0213	0.1528	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0213	0.1528	1
Brugia malayi	hypothetical protein	0.0362	0.2687	0.264
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0222	0.16	0.2237
Echinococcus granulosus	tubulin alpha 3 chain	0.0213	0.1528	0.2136
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.012	0.0808	0.2326
Loa Loa (eye worm)	AUR protein kinase	0.0117	0.0777	0.0718
Trichomonas vaginalis	tubulin beta chain, putative	0.0213	0.1528	1
Loa Loa (eye worm)	tubulin alpha chain	0.0213	0.1528	0.1474
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0767	0.5842	0.5816
Brugia malayi	nuclear hormone receptor	0.0362	0.2687	0.264
Echinococcus granulosus	aurora kinase A	0.0117	0.0777	0.1086
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0525	0.0465
Brugia malayi	Tubulin alpha-2 chain	0.0213	0.1528	0.1474
Brugia malayi	Nuclear hormone receptor E75	0.0362	0.2687	0.264
Echinococcus granulosus	tyrosine protein kinase Blk	0.004	0.0181	0.0253
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0362	0.2687	0.3756
Echinococcus multilocularis	Tubulin beta 2C chain	0.0213	0.1528	0.2136
Brugia malayi	Tubulin alpha chain	0.0213	0.1528	0.1474
Echinococcus granulosus	tubulin alpha chain	0.0213	0.1528	0.2136
Loa Loa (eye worm)	hypothetical protein	0.0767	0.5842	0.5816
Echinococcus granulosus	tubulin beta 1 chain	0.0213	0.1528	0.2136
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0405	0.3024	0.3427
Leishmania major	alpha tubulin	0.0213	0.1528	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0213	0.1528	1
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.004	0.0181	0.0253
Trichomonas vaginalis	tubulin, putative	0.012	0.0808	0.2326

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)		Binding affinity to Mcl-1 in ABT737-resistant human Nalm-6 cells assessed as disruption of Mcl-1/Bak at 5 uM after 12 to 24 hrs by coimmunoprecipitation assay	ChEMBL.	23167494
Activity (binding)		Binding affinity to Bcl-2 in ABT737-resistant human Nalm-6 cells assessed as disruption of Bcl-2/Bax at 5 uM after 12 to 24 hrs by coimmunoprecipitation assay	ChEMBL.	23167494
IC50 (functional)	= 5.24 uM	Cytotoxicity against human HeLa cells by MTT assay	ChEMBL.	23167494
IC50 (ADMET)	= 50.33 uM	Cytotoxicity against human HEK293 cells by MTT assay	ChEMBL.	23167494
Ki (binding)	= 0.013 uM	Binding affinity to Mcl-1 after 30 mins by florescence polarization assay	ChEMBL.	23167494
Ki (binding)	= 0.024 uM	Binding affinity to Bcl-2 after 30 mins by florescence polarization assay	ChEMBL.	23167494

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	23167494

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: CHEMBL2180320

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 1723038