TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 609.933 | Formula: C30H27Cl3N6O2
H donors: 1 H acceptors: 5 LogP: 8.82 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: CCCCc1nn(c(c1Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)OCC)c1c(Cl)cc(cc1Cl)Cl
InChi: 1S/C30H27Cl3N6O2/c1-3-5-10-26-23(27(30(40)41-4-2)39(36-26)28-24(32)16-20(31)17-25(28)33)15-18-11-13-19(14-12-18)21-8-6-7-9-22(21)29-34-37-38-35-29/h6-9,11-14,16-17H,3-5,10,15H2,1-2H3,(H,34,35,37,38)
InChiKey: RHSCVUDKMZMOPM-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
Oryctolagus cuniculus	Angiotensin II type 1a (AT-1a) receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	allatostatin A receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	348 aa	26.4 %
Onchocerca volvulus		Angiotensin II type 1a (AT-1a) receptor	359 aa	303 aa	25.4 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Angiotensin II type 1a (AT-1a) receptor	359 aa	325 aa	20.9 %
Onchocerca volvulus		Angiotensin II type 1a (AT-1a) receptor	359 aa	399 aa	25.3 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	314 aa	25.5 %
Loa Loa (eye worm)	hypothetical protein	Angiotensin II type 1a (AT-1a) receptor	359 aa	308 aa	27.3 %
Schistosoma japonicum	Rhodopsin, putative	Angiotensin II type 1a (AT-1a) receptor	359 aa	355 aa	23.9 %
Echinococcus granulosus	tm gpcr rhodopsin	Angiotensin II type 1a (AT-1a) receptor	359 aa	306 aa	21.9 %
Onchocerca volvulus		Angiotensin II type 1a (AT-1a) receptor	359 aa	306 aa	25.8 %
Onchocerca volvulus		Angiotensin II type 1a (AT-1a) receptor	359 aa	341 aa	23.2 %
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	364 aa	23.1 %
Echinococcus granulosus	allatostatin A receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	348 aa	26.4 %
Schistosoma mansoni	opsin-like receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	299 aa	25.1 %
Echinococcus multilocularis	neuropeptide receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	317 aa	24.6 %
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	Angiotensin II type 1a (AT-1a) receptor	359 aa	306 aa	21.9 %
Onchocerca volvulus		Angiotensin II type 1a (AT-1a) receptor	359 aa	313 aa	25.6 %
Brugia malayi	putative neuropeptide receptor NPR1	Angiotensin II type 1a (AT-1a) receptor	359 aa	295 aa	27.1 %
Loa Loa (eye worm)	neuropeptide F receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	356 aa	22.2 %
Onchocerca volvulus		Angiotensin II type 1a (AT-1a) receptor	359 aa	296 aa	23.0 %
Echinococcus multilocularis	G-protein coupled receptor, putative	Angiotensin II type 1a (AT-1a) receptor	359 aa	307 aa	22.5 %
Echinococcus granulosus	neuropeptide receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	317 aa	24.3 %
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	346 aa	18.2 %
Onchocerca volvulus	E3 ubiquitin-protein ligase rpm-1 homolog	Angiotensin II type 1a (AT-1a) receptor	359 aa	328 aa	20.7 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Angiotensin II type 1a (AT-1a) receptor	359 aa	329 aa	22.8 %
Brugia malayi	ORL1-like opioid receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	333 aa	21.3 %
Brugia malayi	GnHR receptor homolog	Angiotensin II type 1a (AT-1a) receptor	359 aa	364 aa	20.3 %
Schistosoma mansoni	adenoreceptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	329 aa	23.7 %
Loa Loa (eye worm)	hypothetical protein	Angiotensin II type 1a (AT-1a) receptor	359 aa	335 aa	23.0 %
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	404 aa	19.1 %
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	Angiotensin II type 1a (AT-1a) receptor	359 aa	404 aa	19.6 %
Echinococcus granulosus	growth hormone secretagogue receptor type 1	Angiotensin II type 1a (AT-1a) receptor	359 aa	342 aa	22.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	alpha tubulin	0.0015	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0015	0.9804	0.9804
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0015	0.9804	0.9804
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0015	1	1
Loa Loa (eye worm)	alpha-tubulin	0.0015	1	1
Brugia malayi	ecdysteroid receptor	0.0015	0.9804	0.9804
Onchocerca volvulus	Protein ultraspiracle homolog	0.0015	0.9804	0.5
Onchocerca volvulus	Bile acid receptor homolog	0.0015	0.9804	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0015	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0015	1	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0015	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0015	1	1
Giardia lamblia	Alpha-tubulin	0.0015	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0015	0.9804	0.9804
Leishmania major	alpha tubulin	0.0015	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0015	0.9804	0.9804
Echinococcus granulosus	FTZ F1 alpha	0.0015	0.9804	0.9804
Echinococcus granulosus	tubulin alpha	0.0008	0.0312	0.0312
Echinococcus multilocularis	tubulin alpha chain	0.0015	1	1
Echinococcus multilocularis	tubulin alpha	0.0008	0.0312	0.0312
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0015	0.9804	0.9804
Echinococcus multilocularis	tubulin epsilon chain	0.0008	0.0312	0.0312
Echinococcus granulosus	beta tubulin	0.0008	0.0312	0.0312
Brugia malayi	tubulin alpha chain - mouse	0.0015	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0015	0.9804	0.9804
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0015	0.9804	0.9804
Leishmania major	alpha tubulin	0.0015	1	1
Echinococcus multilocularis	tubulin subunit TubB	0.0015	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0015	0.9804	0.9804
Brugia malayi	Tubulin alpha-2 chain	0.0015	1	1
Schistosoma mansoni	tubulin subunit gamma	0.0008	0.0312	0.0312
Echinococcus multilocularis	hypothetical protein	0.0015	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.0015	0.9804	0.9804
Echinococcus granulosus	tubulin beta 4A class IVa	0.0008	0.0312	0.0312
Echinococcus granulosus	Tubulin alpha 1 chain	0.0015	1	1
Leishmania major	alpha tubulin	0.0015	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0015	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0015	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0015	0.9804	0.9804
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0015	0.9804	0.9804
Leishmania major	alpha tubulin	0.0015	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0015	0.9804	0.9804
Brugia malayi	Tubulin alpha-2 chain	0.0015	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0008	0.0312	0.0312
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0015	1	1
Echinococcus multilocularis	FTZ F1 alpha	0.0015	0.9804	0.9804
Echinococcus granulosus	tubulin epsilon chain	0.0008	0.0312	0.0312
Onchocerca volvulus		0.0015	0.9804	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0015	0.9804	0.9804
Giardia lamblia	Alpha-tubulin	0.0015	1	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0015	0.9804	0.9804
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0008	0.0312	0.0312
Echinococcus multilocularis	peroxisome assembly protein 26	0.0015	1	1
Plasmodium vivax	tubulin alpha chain, putative	0.0015	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0008	0.0312	0.0312
Leishmania major	alpha tubulin	0.0015	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.001	0.3611	0.3406
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0015	0.9804	0.9804
Loa Loa (eye worm)	hypothetical protein	0.0015	0.9804	0.9804
Schistosoma mansoni	thyroid hormone receptor	0.0015	0.9804	0.9804
Echinococcus multilocularis	beta tubulin	0.0008	0.0312	0.0312
Loa Loa (eye worm)	tubulin gamma chain	0.0008	0.0312	0.0312
Leishmania major	alpha tubulin	0.0015	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0008	0.0312	0.0312
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0015	0.9804	0.9804
Schistosoma mansoni	tubulin subunit alpha	0.0015	1	1
Trypanosoma brucei	alpha tubulin	0.0015	1	1
Loa Loa (eye worm)	tubulin alpha chain	0.0015	1	1
Echinococcus granulosus	tubulin beta 1 chain	0.0008	0.0312	0.0312
Plasmodium vivax	tubulin alpha chain, putative	0.0015	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0015	1	1
Schistosoma mansoni	tubulin subunit beta	0.0008	0.0312	0.0312
Echinococcus granulosus	Tubulin alpha 1 chain	0.0015	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0015	0.9804	0.9804
Schistosoma mansoni	retinoic acid receptor RXR	0.0015	0.9804	0.9804
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0015	0.9804	0.9804
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0015	0.9804	0.9804
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0015	0.9804	0.9804
Loa Loa (eye worm)	tubulin beta-1 chain	0.0008	0.0312	0.0312
Echinococcus granulosus	tubulin alpha chain	0.0015	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0015	0.9804	0.9804
Schistosoma mansoni	RAR-like nuclear receptor	0.0015	0.9804	0.9804
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0015	0.9804	0.9804
Loa Loa (eye worm)	hypothetical protein	0.0015	0.9804	0.9804
Schistosoma mansoni	tubulin subunit beta	0.0008	0.0312	0.0312
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0015	0.9804	0.9804
Loa Loa (eye worm)	tubulin alpha 2	0.0012	0.5097	0.5097
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	1	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0015	0.9804	0.9804
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0015	0.9804	0.9804
Schistosoma mansoni	tubulin subunit beta	0.0008	0.0312	0.0312
Loa Loa (eye worm)	tubulin alpha chain	0.0015	1	1
Entamoeba histolytica	tubulin alpha chain, putative	0.0015	1	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0015	1	1
Toxoplasma gondii	alpha-tubulin I, putative	0.0015	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0015	0.9804	0.9804
Echinococcus multilocularis	tubulin beta 1 chain	0.0008	0.0312	0.0312
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0015	0.9804	0.9804
Schistosoma mansoni	tubulin subunit beta	0.0008	0.0312	0.0312
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0015	0.9804	0.9804
Echinococcus granulosus	tubulin alpha chain	0.0015	1	1
Echinococcus granulosus	beta tubulin	0.0008	0.0312	0.0312
Brugia malayi	nuclear hormone receptor	0.0015	0.9804	0.9804
Loa Loa (eye worm)	beta-tubulin	0.0008	0.0312	0.0312
Echinococcus granulosus	Tubulin beta 2C chain	0.0008	0.0312	0.0312
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0015	0.9804	0.9804
Schistosoma mansoni	alpha tubulin	0.0015	1	1
Plasmodium falciparum	alpha tubulin 2	0.0015	1	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0015	0.9804	0.9804
Plasmodium falciparum	alpha tubulin 1	0.0015	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0015	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0015	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0015	0.9804	0.9804
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0015	0.9804	0.9804
Brugia malayi	nuclear receptor NHR-88	0.0015	0.9804	0.9804
Trypanosoma brucei	alpha tubulin	0.0015	1	1
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0012	0.5097	0.5097
Echinococcus granulosus	tubulin alpha 1C chain	0.0015	1	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0015	1	1
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0008	0.0312	0.0312
Loa Loa (eye worm)	BEN-1 protein	0.0008	0.0312	0.0312
Entamoeba histolytica	tubulin alpha-1 chain	0.0015	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0015	0.9804	0.9804
Echinococcus multilocularis	tubulin alpha chain	0.0015	1	1
Schistosoma mansoni	tubulin subunit beta	0.0008	0.0312	0.0312
Leishmania major	alpha tubulin	0.0015	1	1
Echinococcus granulosus	tubulin alpha chain	0.0015	1	1
Leishmania major	alpha tubulin	0.0015	1	1
Brugia malayi	alpha-tubulin	0.0015	1	1
Trypanosoma brucei	alpha tubulin	0.0015	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0015	0.9804	0.9804
Schistosoma mansoni	tubulin subunit epsilon	0.0008	0.0312	0.0312
Loa Loa (eye worm)	alpha-tubulin	0.0015	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	1	1
Echinococcus granulosus	tubulin alpha chain	0.0015	1	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0015	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0012	0.5097	0.494
Echinococcus granulosus	tubulin alpha 3 chain	0.0015	1	1
Brugia malayi	beta-tubulin, identical	0.0008	0.0312	0.0312
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0015	0.9804	0.9804
Loa Loa (eye worm)	tubulin alpha-3 chain	0.001	0.3611	0.3611
Loa Loa (eye worm)	tubulin beta-4 chain	0.0008	0.0312	0.0312
Echinococcus multilocularis	tubulin alpha 3 chain	0.0015	1	1
Echinococcus granulosus	alpha tubulin	0.0015	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0015	1	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.9804	0.9804
Leishmania major	alpha tubulin	0.0015	1	1
Echinococcus multilocularis	beta tubulin	0.0008	0.0312	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0015	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	1	1
Brugia malayi	Tubulin alpha chain	0.0015	1	1
Brugia malayi	Tubulin beta-1 chain	0.0008	0.0312	0.0312
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0015	0.9804	0.9804
Echinococcus multilocularis	tubulin alpha 3 chain	0.0015	1	1
Schistosoma mansoni	tubulin subunit beta	0.0008	0.0312	0.0312
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0015	0.9804	0.5
Trypanosoma cruzi	alpha tubulin, putative	0.0015	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0015	0.9804	0.9804
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0015	0.9804	0.9804
Echinococcus multilocularis	Tubulin beta 2C chain	0.0008	0.0312	0.0312
Leishmania major	alpha tubulin	0.0015	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.3611	0.3611
Loa Loa (eye worm)	BEN-1 protein	0.0008	0.0312	0.0312
Echinococcus multilocularis	tubulin subunit beta	0.0008	0.0312	0.0312
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0015	0.9804	0.9804
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0015	1	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0015	0.9804	0.9804
Echinococcus granulosus	Tubulin alpha 1 chain	0.0015	1	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0015	0.9804	0.9804
Brugia malayi	Tubulin gamma chain	0.0008	0.0312	0.0312
Loa Loa (eye worm)	steroid hormone receptor	0.0015	0.9804	0.9804
Echinococcus granulosus	peroxisome assembly protein 26	0.0015	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.0012	0.5097	0.5097
Loa Loa (eye worm)	hypothetical protein	0.0015	0.9804	0.9804
Brugia malayi	steroid hormone receptor	0.0015	0.9804	0.9804
Loa Loa (eye worm)	tubulin beta-2A chain	0.0008	0.0312	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0015	0.9804	0.9804
Echinococcus multilocularis	tubulin alpha 1C chain	0.0015	1	1
Trypanosoma brucei	alpha tubulin	0.0015	1	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.9804	0.9804
Echinococcus multilocularis	ecdysone induced protein 78C	0.0015	0.9804	0.9804
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0015	0.9804	0.9804
Echinococcus granulosus	tubulin alpha chain	0.0015	1	1
Schistosoma mansoni	coup transcription factor	0.0015	0.9804	0.9804
Schistosoma mansoni	alpha tubulin	0.0015	1	1
Leishmania major	alpha tubulin	0.0015	1	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0015	0.9804	0.9804
Loa Loa (eye worm)	tubulin beta chain	0.0008	0.0312	0.0312
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0015	0.9804	0.9804
Echinococcus granulosus	Tubulin beta 2C chain	0.0008	0.0312	0.0312
Echinococcus granulosus	Tubulin beta 2C chain	0.0008	0.0312	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0015	0.9804	0.9804
Echinococcus granulosus	Tubulin beta 2C chain	0.0008	0.0312	0.0312
Echinococcus multilocularis	tubulin gamma 1 chain	0.0008	0.0312	0.0312
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0015	0.9804	0.9804
Schistosoma mansoni	alpha tubulin	0.0015	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0015	0.9804	0.9804
Loa Loa (eye worm)	hypothetical protein	0.0012	0.5097	0.5097
Loa Loa (eye worm)	hypothetical protein	0.0015	0.9804	0.9804
Echinococcus granulosus	tubulin subunit beta	0.0008	0.0312	0.0312
Echinococcus granulosus	tubulin gamma 1 chain	0.0008	0.0312	0.0312
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0015	0.9804	0.9804
Echinococcus multilocularis	Tubulin beta 2C chain	0.0008	0.0312	0.0312
Echinococcus granulosus	tubulin subunit TubB	0.0015	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0015	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 37 nM	Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1	ChEMBL.	8246227
IC50 (functional)	= 37 nM	Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1	ChEMBL.	8246227
IC50 (binding)	= 80 uM	Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.	ChEMBL.	10509927
IC50 (binding)	= 80 uM	Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.	ChEMBL.	10509927
IC50 (binding)	> 200 uM	Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.	ChEMBL.	10509927
IC50 (binding)	> 200 uM	Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.	ChEMBL.	10509927
Ki (binding)	= 450 uM	In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.	ChEMBL.	10509927
Ki app (binding)	= 450 uM	In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.	ChEMBL.	10509927

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: CHEMBL328598

Bibliographic References

2 literature references were 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 154007