TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 349.508 | Formula: C21H35NO3
H donors: 2 H acceptors: 3 LogP: 3.06 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OCC(=O)N1CCCC2[C@]1(C)CCC1C2CC[C@H]2[C@]1(C)CC[C@H](C2)O
InChi: 1S/C21H35NO3/c1-20-9-7-15(24)12-14(20)5-6-16-17(20)8-10-21(2)18(16)4-3-11-22(21)19(25)13-23/h14-18,23-24H,3-13H2,1-2H3/t14-,15-,16?,17?,18?,20+,21+/m1/s1
InChiKey: IYNUMSDTEUGDSE-HMNOPTAMSA-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
Rattus norvegicus	GABA-A receptor; anion channel	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
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	GABA-A receptor; anion channel	467 aa	454 aa	29.5 %
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	441 aa	33.8 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	446 aa	28.0 %
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	446 aa	29.1 %
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	GABA-A receptor; anion channel	467 aa	479 aa	29.2 %
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	GABA-A receptor; anion channel	467 aa	384 aa	19.5 %
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type homolog	GABA-A receptor; anion channel	467 aa	418 aa	19.6 %
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	461 aa	27.8 %
Brugia malayi	Cation transporter family protein	GABA-A receptor; anion channel	467 aa	453 aa	28.5 %
Onchocerca volvulus	Eukaryotic initiation factor 4A-III homolog	GABA-A receptor; anion channel	467 aa	453 aa	26.9 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	434 aa	26.7 %
Echinococcus granulosus	glycine receptor subunit beta	GABA-A receptor; anion channel	467 aa	439 aa	29.6 %
Echinococcus multilocularis	glycine receptor subunit beta	GABA-A receptor; anion channel	467 aa	478 aa	28.7 %
Echinococcus multilocularis	glycine receptor subunit alpha 1	GABA-A receptor; anion channel	467 aa	430 aa	32.3 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	447 aa	25.7 %
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	494 aa	25.5 %
Onchocerca volvulus	Gamma-aminobutyric acid receptor subunit beta homolog	GABA-A receptor; anion channel	467 aa	433 aa	34.6 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	454 aa	30.4 %
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	GABA-A receptor; anion channel	467 aa	375 aa	21.9 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	435 aa	29.7 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	468 aa	28.6 %
Echinococcus granulosus	glycine receptor subunit alpha 1	GABA-A receptor; anion channel	467 aa	430 aa	32.3 %
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	GABA-A receptor; anion channel	467 aa	379 aa	19.3 %
Onchocerca volvulus	Large subunit GTPase 1 homolog	GABA-A receptor; anion channel	467 aa	496 aa	26.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	lipoxygenase domain containing protein	0.0034	0.0143	0.0324
Trichomonas vaginalis	tubulin beta chain, putative	0.0201	0.3224	0.6814
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0201	0.3224	0.3224
Plasmodium falciparum	tubulin gamma chain	0.0144	0.2169	0.4733
Echinococcus multilocularis	tubulin subunit beta	0.0265	0.4423	0.4423
Trypanosoma cruzi	alpha tubulin, putative	0.0201	0.3224	0.6814
Plasmodium vivax	delta tubulin, putative	0.0062	0.0661	0.1209
Plasmodium vivax	tubulin alpha chain, putative	0.0201	0.3224	0.7199
Echinococcus granulosus	Tubulin alpha 1 chain	0.0201	0.3224	0.729
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0119	0.1716	0.3676
Leishmania major	beta tubulin	0.0265	0.4423	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0265	0.4423	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0201	0.3224	0.6814
Leishmania major	beta tubulin	0.0265	0.4423	1
Toxoplasma gondii	beta-tubulin, putative	0.0265	0.4423	1
Giardia lamblia	Beta tubulin	0.0265	0.4423	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0201	0.3224	0.7199
Entamoeba histolytica	tubulin alpha-1 chain	0.0201	0.3224	0.4682
Leishmania major	beta tubulin	0.0265	0.4423	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0201	0.3224	0.729
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0138	0.2067	0.3738
Plasmodium vivax	tubulin alpha chain, putative	0.0201	0.3224	0.7199
Echinococcus multilocularis	tubulin delta chain	0.0062	0.0661	0.0661
Leishmania major	alpha tubulin	0.0201	0.3224	0.6814
Leishmania major	beta tubulin	0.0265	0.4423	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0081	0.1012	0.0932
Trypanosoma brucei	alpha tubulin	0.0201	0.3224	0.6814
Loa Loa (eye worm)	hypothetical protein	0.0138	0.2067	0.4495
Loa Loa (eye worm)	BEN-1 protein	0.0265	0.4423	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0201	0.3224	0.6814
Leishmania major	beta tubulin	0.0265	0.4423	1
Schistosoma mansoni	tubulin subunit beta	0.0062	0.0661	0.1209
Echinococcus granulosus	tubulin alpha	0.0144	0.2169	0.4904
Echinococcus granulosus	tubulin subunit TubB	0.0201	0.3224	0.729
Mycobacterium ulcerans	cell division protein FtsZ	0.0062	0.0661	0.5
Trypanosoma brucei	alpha tubulin, putative	0.0081	0.1012	0.0932
Trichomonas vaginalis	tubulin alpha chain, putative	0.0081	0.1012	0.0932
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0067	0.0745	1
Trichomonas vaginalis	tubulin, putative	0.0081	0.1012	0.0932
Loa Loa (eye worm)	tubulin beta-2A chain	0.0265	0.4423	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0201	0.3224	0.6814
Trichomonas vaginalis	tubulin, putative	0.0081	0.1012	0.0932
Leishmania major	gamma-tubulin	0.0144	0.2169	0.4008
Schistosoma mansoni	tubulin subunit alpha	0.0201	0.3224	0.7199
Entamoeba histolytica	tubulin family protein	0.0265	0.4423	1
Echinococcus granulosus	beta tubulin	0.0265	0.4423	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0265	0.4423	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0201	0.3224	0.6814
Loa Loa (eye worm)	tubulin alpha chain	0.0201	0.3224	0.7199
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0138	0.2067	0.4495
Brugia malayi	beta-tubulin, identical	0.0265	0.4423	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0265	0.4423	0.4423
Trichomonas vaginalis	tubulin gamma chain, putative	0.0144	0.2169	0.4008
Trichomonas vaginalis	tubulin alpha chain, putative	0.0265	0.4423	1
Echinococcus granulosus	tubulin alpha chain	0.0201	0.3224	0.729
Leishmania major	alpha tubulin	0.0201	0.3224	0.6814
Brugia malayi	Cell division protein ftsZ	0.0062	0.0661	0.1209
Echinococcus multilocularis	tubulin alpha chain	0.0201	0.3224	0.3224
Brugia malayi	tubulin alpha chain - mouse	0.0201	0.3224	0.7199
Mycobacterium tuberculosis	Probable oxidoreductase	0.0067	0.0745	1
Loa Loa (eye worm)	tubulin beta chain	0.0265	0.4423	1
Leishmania major	alpha tubulin	0.0201	0.3224	0.6814
Brugia malayi	Tubulin beta chain	0.0081	0.1012	0.2029
Loa Loa (eye worm)	tubulin gamma chain	0.0144	0.2169	0.4733
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0034	0.0143	0.0143
Schistosoma mansoni	tubulin subunit gamma	0.0144	0.2169	0.4733
Echinococcus multilocularis	tubulin alpha chain	0.0201	0.3224	0.3224
Trypanosoma cruzi	beta tubulin, putative	0.0265	0.4423	1
Trypanosoma brucei	epsilon tubulin	0.0144	0.2169	0.4008
Echinococcus granulosus	tubulin alpha 3 chain	0.0201	0.3224	0.729
Schistosoma mansoni	lipoxygenase	0.0206	0.333	0.7446
Leishmania major	beta tubulin	0.0265	0.4423	1
Brugia malayi	Tubulin alpha-2 chain	0.0201	0.3224	0.7199
Plasmodium falciparum	alpha tubulin 2	0.0201	0.3224	0.7199
Loa Loa (eye worm)	tubulin alpha 2	0.0138	0.2067	0.4495
Echinococcus multilocularis	Polycystic kidney disease protein	0.0034	0.0143	0.0143
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0206	0.333	0.333
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0201	0.3224	0.6814
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0201	0.3224	0.6814
Echinococcus multilocularis	tubulin alpha 3 chain	0.0201	0.3224	0.3224
Schistosoma mansoni	tubulin subunit beta	0.0265	0.4423	1
Entamoeba histolytica	tubulin alpha chain, putative	0.0201	0.3224	0.4682
Leishmania major	beta tubulin	0.0265	0.4423	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0201	0.3224	0.3224
Echinococcus multilocularis	Tubulin beta 2C chain	0.0265	0.4423	0.4423
Echinococcus multilocularis	tubulin beta 1 chain	0.0265	0.4423	0.4423
Schistosoma mansoni	tubulin subunit alpha	0.0201	0.3224	0.7199
Trypanosoma brucei	alpha tubulin	0.0201	0.3224	0.6814
Trichomonas vaginalis	tubulin alpha chain, putative	0.0144	0.2169	0.4008
Trichomonas vaginalis	tubulin gamma chain, putative	0.0265	0.4423	1
Schistosoma mansoni	tubulin subunit delta	0.0062	0.0661	0.1209
Plasmodium falciparum	tubulin delta chain, putative	0.0062	0.0661	0.1209
Schistosoma mansoni	lipoxygenase	0.0144	0.2178	0.4756
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0265	0.4423	0.4423
Trichomonas vaginalis	tubulin beta chain, putative	0.0081	0.1012	0.0932
Loa Loa (eye worm)	tubulin beta-1 chain	0.0265	0.4423	1
Brugia malayi	Tubulin gamma chain	0.0144	0.2169	0.4733
Toxoplasma gondii	beta-1 tubulin, putative	0.0265	0.4423	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0144	0.2169	0.4008
Echinococcus granulosus	RUN	0.0034	0.0143	0.0324
Echinococcus multilocularis	tubulin alpha 1C chain	0.0201	0.3224	0.3224
Trichomonas vaginalis	tubulin alpha chain, putative	0.0081	0.1012	0.0932
Loa Loa (eye worm)	tubulin alpha 2	0.0057	0.0559	0.0972
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0201	0.3224	0.3224
Trypanosoma brucei	beta tubulin	0.0265	0.4423	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0034	0.0143	0.0324
Leishmania major	beta tubulin	0.0265	0.4423	1
Loa Loa (eye worm)	tubulin alpha chain	0.0201	0.3224	0.7199
Leishmania major	beta tubulin	0.0265	0.4423	1
Leishmania major	alpha tubulin	0.0201	0.3224	0.6814
Brugia malayi	Tubulin alpha chain	0.0062	0.0661	0.1209
Plasmodium falciparum	alpha tubulin 1	0.0201	0.3224	0.7199
Echinococcus multilocularis	tubulin gamma 1 chain	0.0144	0.2169	0.2169
Echinococcus multilocularis	beta tubulin	0.0265	0.4423	0.4423
Giardia lamblia	Beta tubulin	0.0265	0.4423	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0201	0.3224	0.729
Trypanosoma cruzi	tubulin gamma chain	0.0144	0.2169	0.4008
Leishmania major	alpha tubulin	0.0201	0.3224	0.6814
Echinococcus multilocularis	tubulin alpha chain	0.0201	0.3224	0.3224
Echinococcus granulosus	tubulin beta 1 chain	0.0265	0.4423	1
Echinococcus granulosus	tubulin alpha chain	0.0201	0.3224	0.729
Schistosoma mansoni	tubulin subunit epsilon	0.0144	0.2169	0.4733
Onchocerca volvulus		0.0081	0.1012	1
Echinococcus multilocularis	RUN	0.0034	0.0143	0.0143
Echinococcus granulosus	tubulin delta chain	0.0062	0.0661	0.1494
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0265	0.4423	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0067	0.0745	1
Leishmania major	alpha tubulin	0.0201	0.3224	0.6814
Loa Loa (eye worm)	tubulin beta chain	0.0062	0.0661	0.1209
Echinococcus granulosus	alpha tubulin	0.0201	0.3224	0.729
Echinococcus granulosus	tubulin alpha 1C chain	0.0201	0.3224	0.729
Leishmania major	alpha tubulin	0.0201	0.3224	0.6814
Loa Loa (eye worm)	hypothetical protein	0.0201	0.3224	0.7199
Schistosoma mansoni	tubulin subunit beta	0.0265	0.4423	1
Loa Loa (eye worm)	alpha-tubulin	0.0201	0.3224	0.7199
Brugia malayi	tubulin alpha-2 chain	0.0201	0.3224	0.7199
Echinococcus multilocularis	peroxisome assembly protein 26	0.0201	0.3224	0.3224
Giardia lamblia	Gamma tubulin	0.0144	0.2169	0.4008
Echinococcus granulosus	Tubulin beta 2C chain	0.0265	0.4423	1
Schistosoma mansoni	tubulin subunit beta	0.0265	0.4423	1
Brugia malayi	Tubulin alpha chain	0.0201	0.3224	0.7199
Echinococcus granulosus	tubulin epsilon chain	0.0144	0.2169	0.4904
Loa Loa (eye worm)	alpha-tubulin	0.0201	0.3224	0.7199
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0081	0.1012	0.0932
Schistosoma mansoni	tubulin subunit alpha	0.0062	0.0661	0.1209
Treponema pallidum	cell division protein FtsZ	0.0062	0.0661	0.5
Echinococcus multilocularis	tubulin alpha chain	0.0201	0.3224	0.3224
Loa Loa (eye worm)	tubulin beta-4 chain	0.0265	0.4423	1
Echinococcus granulosus	Polycystic kidney disease protein	0.0034	0.0143	0.0324
Leishmania major	epsilon tubulin, putative	0.0144	0.2169	0.4008
Leishmania major	alpha tubulin	0.0201	0.3224	0.6814
Echinococcus granulosus	tubulin alpha chain	0.0201	0.3224	0.729
Echinococcus granulosus	tubulin alpha chain	0.0201	0.3224	0.729
Trypanosoma brucei	tubulin gamma chain	0.0144	0.2169	0.4008
Leishmania major	beta tubulin	0.0265	0.4423	1
Trypanosoma brucei	epsilon tubulin	0.0144	0.2169	0.4008
Loa Loa (eye worm)	beta-tubulin	0.0265	0.4423	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0201	0.3224	0.6814
Brugia malayi	alpha-tubulin	0.0201	0.3224	0.7199
Echinococcus multilocularis	tubulin alpha	0.0144	0.2169	0.2169
Entamoeba histolytica	tubulin family protein	0.0265	0.4423	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0265	0.4423	1
Echinococcus granulosus	tubulin beta 4A class IVa	0.0265	0.4423	1
Echinococcus multilocularis	tubulin epsilon chain	0.0144	0.2169	0.2169
Leishmania major	alpha tubulin	0.0201	0.3224	0.6814
Echinococcus multilocularis	Tubulin beta 2C chain	0.0265	0.4423	0.4423
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0067	0.0745	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0201	0.3224	0.3224
Toxoplasma gondii	beta tubulin	0.0265	0.4423	1
Schistosoma mansoni	tubulin subunit beta	0.0265	0.4423	1
Brugia malayi	Tubulin alpha-2 chain	0.0201	0.3224	0.7199
Trypanosoma brucei	beta tubulin	0.0265	0.4423	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0034	0.0143	0.0143
Echinococcus granulosus	beta tubulin	0.0265	0.4423	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0201	0.3224	0.3224
Leishmania major	beta tubulin	0.0265	0.4423	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0265	0.4423	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0201	0.3224	0.729
Leishmania major	beta tubulin	0.0265	0.4423	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0206	0.333	0.7529
Trichomonas vaginalis	tubulin, putative	0.0265	0.4423	1
Trypanosoma brucei	epsilon tubulin	0.0144	0.2169	0.4008
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0144	0.2169	0.4008
Schistosoma mansoni	alpha tubulin	0.0201	0.3224	0.7199
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0062	0.0661	0.5
Plasmodium vivax	tubulin epsilon chain, putative	0.0144	0.2169	0.4733
Schistosoma mansoni	alpha tubulin	0.0201	0.3224	0.7199
Giardia lamblia	Beta tubulin	0.0265	0.4423	1
Echinococcus granulosus	tubulin gamma 1 chain	0.0144	0.2169	0.4904
Leishmania major	beta tubulin	0.0265	0.4423	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0265	0.4423	1
Plasmodium falciparum	tubulin epsilon chain, putative	0.0144	0.2169	0.4733
Echinococcus multilocularis	Tubulin beta 2C chain	0.0265	0.4423	0.4423
Toxoplasma gondii	alpha tubulin TUBA1	0.0201	0.3224	0.6814
Plasmodium vivax	tubulin beta chain, putative	0.0265	0.4423	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0144	0.2169	0.4008
Schistosoma mansoni	tubulin subunit alpha	0.0201	0.3224	0.7199
Giardia lamblia	Alpha-tubulin	0.0201	0.3224	0.6814
Brugia malayi	Tubulin beta-1 chain	0.0265	0.4423	1
Loa Loa (eye worm)	tubulin alpha 2	0.0138	0.2067	0.4495
Trypanosoma brucei	alpha tubulin	0.0201	0.3224	0.6814
Schistosoma mansoni	tubulin subunit beta	0.0265	0.4423	1
Schistosoma mansoni	alpha tubulin	0.0201	0.3224	0.7199
Mycobacterium leprae	cell division protein FtsZ	0.0062	0.0661	0.3224
Leishmania major	beta tubulin	0.0265	0.4423	1
Leishmania major	beta tubulin	0.0265	0.4423	1
Trypanosoma brucei	beta tubulin	0.0265	0.4423	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0265	0.4423	0.4423
Trypanosoma brucei	beta tubulin	0.0144	0.2169	0.4008
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1716	0.3676
Echinococcus multilocularis	beta tubulin	0.0265	0.4423	0.4423
Schistosoma mansoni	tubulin subunit beta	0.0265	0.4423	1
Leishmania major	alpha tubulin	0.0201	0.3224	0.6814
Echinococcus granulosus	peroxisome assembly protein 26	0.0201	0.3224	0.729
Brugia malayi	Tubulin beta chain	0.0062	0.0661	0.1209
Leishmania major	beta tubulin	0.0265	0.4423	1
Leishmania major	alpha tubulin	0.0201	0.3224	0.6814
Echinococcus multilocularis	tubulin subunit TubB	0.0201	0.3224	0.3224
Echinococcus granulosus	tubulin alpha chain	0.0201	0.3224	0.729
Echinococcus granulosus	Tubulin alpha 1 chain	0.0201	0.3224	0.729
Plasmodium falciparum	tubulin beta chain	0.0265	0.4423	1
Echinococcus granulosus	tubulin subunit beta	0.0265	0.4423	1
Toxoplasma gondii	alpha-tubulin I, putative	0.0201	0.3224	0.6814
Echinococcus multilocularis	hypothetical protein	0.0201	0.3224	0.3224
Trichomonas vaginalis	tubulin beta chain, putative	0.0201	0.3224	0.6814
Plasmodium vivax	tubulin gamma chain, putative	0.0144	0.2169	0.4733
Echinococcus granulosus	Tubulin beta 2C chain	0.0265	0.4423	1
Echinococcus multilocularis	tubulin alpha chain	0.0201	0.3224	0.3224
Trichomonas vaginalis	tubulin gamma chain, putative	0.0144	0.2169	0.4008
Leishmania major	beta tubulin	0.0265	0.4423	1
Leishmania major	beta tubulin	0.0265	0.4423	1
Trypanosoma brucei	beta tubulin	0.0265	0.4423	1
Giardia lamblia	Alpha-tubulin	0.0201	0.3224	0.6814
Trypanosoma brucei	alpha tubulin	0.0201	0.3224	0.6814
Leishmania major	alpha tubulin	0.0201	0.3224	0.6814
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0062	0.0661	0.3224
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0119	0.1716	0.2805
Loa Loa (eye worm)	BEN-1 protein	0.0265	0.4423	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 0.1	Electrophysiological effect on rat alpha1-beta2-gamma2 GABA-A receptor subunits expressed in xenopus laevis oocytes at 10 uM in the absence of GABA	ChEMBL.	10966737
Activity (functional)	= 1.36	Electrophysiological effect on rat alpha1-beta2-gamma2 GABA-A receptor subunits expressed in xenopus laevis oocytes at 0.1 microM	ChEMBL.	10966737
Activity (functional)	= 1.57	Electrophysiological effect on rat alpha1-beta2-gamma2 GABA-A receptor subunits expressed in xenopus laevis oocytes at 1 uM	ChEMBL.	10966737
Activity (functional)	= 3.87	Electrophysiological effect on rat alpha1-beta2-gamma2 GABA-A receptor subunits expressed in xenopus laevis oocytes at 10 uM	ChEMBL.	10966737
IC50 (binding)	= 0.93 uM	Displacement of [3S]-tert-butylbicyclophosphorothionate (TBPS) from Gamma-aminobutyric-acid A (GABA-A) receptor of rat brain membranes	ChEMBL.	10966737
IC50 (binding)	= 0.93 uM	Displacement of [3S]-tert-butylbicyclophosphorothionate (TBPS) from Gamma-aminobutyric-acid A (GABA-A) receptor of rat brain membranes	ChEMBL.	10966737

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.

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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 180021