TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 529.67 | Formula: C32H39N3O4
H donors: 1 H acceptors: 3 LogP: 6.55 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: CC(CCN1c2ccccc2N(C(=O)C(C1=O)NC(=O)Oc1ccccc1)CC12CC3CC(C2)CC(C1)C3)C
InChi: 1S/C32H39N3O4/c1-21(2)12-13-34-26-10-6-7-11-27(26)35(20-32-17-22-14-23(18-32)16-24(15-22)19-32)30(37)28(29(34)36)33-31(38)39-25-8-4-3-5-9-25/h3-11,21-24,28H,12-20H2,1-2H3,(H,33,38)
InChiKey: GJZOOFNQTPVBKE-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Cholecystokinin A receptor	Starlite/ChEMBL	No references
Homo sapiens	cholecystokinin B receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	hypothetical protein	Get druggable targets OG5_132882	All targets in OG5_132882
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132882	All targets in OG5_132882
Brugia malayi	sulfakinin receptor protein	Get druggable targets OG5_132882	All targets in OG5_132882

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	rhodopsin orphan GPCR	Cholecystokinin A receptor	444 aa	363 aa	19.6 %
Schistosoma mansoni	amine GPCR	Cholecystokinin A receptor	444 aa	412 aa	26.2 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Cholecystokinin A receptor	444 aa	379 aa	24.8 %
Schistosoma japonicum	FMRFamide receptor, putative	Cholecystokinin A receptor	444 aa	363 aa	21.2 %
Echinococcus multilocularis	g protein coupled receptor	Cholecystokinin A receptor	444 aa	403 aa	24.1 %
Schistosoma mansoni	rhodopsin-like orphan GPCR	Cholecystokinin A receptor	444 aa	380 aa	24.2 %
Onchocerca volvulus		Cholecystokinin A receptor	444 aa	385 aa	28.6 %
Echinococcus multilocularis	neuropeptides capa receptor	Cholecystokinin A receptor	444 aa	400 aa	21.0 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Cholecystokinin A receptor	444 aa	374 aa	24.6 %
Echinococcus multilocularis	g protein coupled receptor	Cholecystokinin A receptor	444 aa	396 aa	23.2 %
Echinococcus granulosus	g protein coupled receptor	Cholecystokinin A receptor	444 aa	396 aa	23.5 %
Echinococcus granulosus	orexin receptor type 2	Cholecystokinin A receptor	444 aa	366 aa	23.5 %
Echinococcus multilocularis	orexin receptor type 2	Cholecystokinin A receptor	444 aa	362 aa	22.4 %
Echinococcus multilocularis	serotonin receptor	Cholecystokinin A receptor	444 aa	468 aa	22.4 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Cholecystokinin A receptor	444 aa	364 aa	28.6 %
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	Cholecystokinin A receptor	444 aa	383 aa	21.7 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Cholecystokinin A receptor	444 aa	362 aa	28.2 %
Echinococcus granulosus	g protein coupled receptor	Cholecystokinin A receptor	444 aa	399 aa	23.3 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Cholecystokinin A receptor	444 aa	395 aa	24.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0031	0.0469	0.9399
Leishmania major	protein kinase, putative	0.0031	0.0484	0.7919
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0084	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0109	0.0098
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0014	0.0084	0.5
Echinococcus granulosus	survival motor neuron protein 1	0.0231	0.5212	0.7594
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0109	0.0151
Loa Loa (eye worm)	sugar transporter	0.0102	0.216	0.3107
Plasmodium falciparum	proline--tRNA ligase	0.0036	0.0589	0.051
Echinococcus granulosus	GPCR family 2	0.0015	0.0109	0.0151
Toxoplasma gondii	facilitative glucose transporter GT1	0.0102	0.216	0.3201
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0014	0.0084	0.0114
Plasmodium falciparum	lysine--tRNA ligase	0.0023	0.0283	0.0201
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0433	1	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0084	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0231	0.5212	0.7581
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0084	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0084	0.0062
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0283	0.0405
Schistosoma mansoni	hypothetical protein	0.0166	0.3662	0.5333
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0484	0.0698
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0493	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0084	0.0062
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0589	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0285	0.0967
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0493	0.8107
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0411	0.0504
Plasmodium falciparum	protein kinase 7	0.0288	0.6571	0.6542
Echinococcus granulosus	solute carrier family 22	0.0014	0.0084	0.0114
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0327	0.481
Chlamydia trachomatis	lysine--tRNA ligase	0.0023	0.0283	1
Trypanosoma cruzi	hexose transporter, putative	0.0017	0.0154	0.1383
Schistosoma mansoni	sugar transporter	0.0014	0.0084	0.0114
Echinococcus granulosus	synaptic vesicle 2 protein	0.0014	0.0084	0.0114
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0.216	1
Echinococcus multilocularis	calcium dependent protein kinase	0.0029	0.0438	0.0631
Schistosoma mansoni	hypothetical protein	0.0015	0.0109	0.0151
Plasmodium falciparum	hexose transporter	0.0102	0.216	0.2094
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0031	0.0469	0.1855
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0235	0.0233
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0283	1
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0235	0.0334
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0493	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0084	0.0062
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0285	0.3975
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0031	0.0484	0.0685
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0493	0.8107
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0493	0.1973
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0484	0.0698
Schistosoma mansoni	hypothetical protein	0.0015	0.0109	0.0151
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0084	0.0114
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0235	0.0334
Plasmodium vivax	lysine--tRNA ligase, putative	0.0023	0.0283	0.0201
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0031	0.0484	0.0617
Leishmania major	glucose transporter, lmgt1	0.0032	0.0493	0.8107
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0031	0.0484	0.0698
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0469	0.0676
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0411	0.0591
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0031	0.0484	0.0649
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0235	0.0152
Echinococcus granulosus	solute carrier family 22	0.0014	0.0084	0.0114
Leishmania major	GTP-binding protein, putative	0.0021	0.0235	0.2987
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0532	0.0719
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0411	0.647
Schistosoma mansoni	ran	0.0021	0.0235	0.0334
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0859	0.1245
Echinococcus multilocularis	lysyl tRNA synthetase	0.0023	0.0283	0.0405
Plasmodium vivax	proline--tRNA ligase, putative	0.0036	0.0589	0.051
Brugia malayi	hypothetical protein	0.0025	0.0327	0.0416
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0283	0.0355
Brugia malayi	Sugar transporter family protein	0.0102	0.216	0.3554
Brugia malayi	hypothetical protein	0.0261	0.5927	1
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0023	0.0283	0.3046
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0301	0.6861	1
Trypanosoma brucei	glucose transporter 2A	0.0032	0.0493	0.8107
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0102	0.216	0.3143
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0484	0.0698
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0235	0.2987
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0411	0.0591
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0165	0.3649	0.5495
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0109	0.0151
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0084	0.0114
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0031	0.0484	0.0404
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0327	0.0245
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0031	0.0484	0.0404
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0109	0.0151
Toxoplasma gondii	lysine-tRNA ligase	0.0023	0.0283	0.0308
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0493	0.8107
Schistosoma mansoni	hypothetical protein	0.0301	0.6861	1
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0493	0.1973
Schistosoma mansoni	glucose transport protein	0.0102	0.216	0.3143
Mycobacterium ulcerans	sugar transporter	0.0014	0.0084	0.2954
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0411	0.647
Schistosoma mansoni	ran	0.0021	0.0235	0.0334
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0084	0.0114
Trypanosoma brucei	glucose transporter 1E	0.0032	0.0493	0.8107
Schistosoma mansoni	hypothetical protein	0.0166	0.3662	0.5333
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0333	0.0427
Echinococcus granulosus	snurportin 1	0.0301	0.6861	1
Echinococcus multilocularis	General substrate transporter	0.0088	0.1821	0.2648
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0493	0.1973
Onchocerca volvulus		0.0047	0.0859	1
Schistosoma mansoni	hypothetical protein	0.0015	0.0109	0.0151
Plasmodium falciparum	importin beta, putative	0.0028	0.0411	0.033
Loa Loa (eye worm)	sugar transporter	0.0014	0.0084	0.0062
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0493	0.8107
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0283	1
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0469	0.0676
Schistosoma mansoni	glucose transport protein	0.0102	0.216	0.3143
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0109	0.0043
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0023	0.0283	0.395
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0285	0.0967
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.216	0.3143
Schistosoma mansoni	hypothetical protein	0.0033	0.0532	0.0768
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0031	0.0484	0.0404
Plasmodium vivax	hexose transporter	0.0102	0.216	0.2094
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0484	0.0698
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0031	0.0469	0.0659
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0031	0.0484	0.0617
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0031	0.0469	1
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0014	0.0084	0.2954
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.216	0.3143
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0014	0.0084	0.0114
Brugia malayi	RNA, U transporter 1	0.008	0.164	0.2663
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0031	0.0484	0.0404
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0235	0.0152
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0019	0.0202	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0084	0.0062
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0031	0.0484	0.0404
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0532	0.0767
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0493	0.8107
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.002	0.0217	0.0641
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0109	0.0151
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0285	0.0967
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0283	0.0961
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0031	0.0484	0.0404
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0327	0.481
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0014	0.0084	0.0114
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0493	0.1973
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0897	0.1254
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.216	0.3143
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0235	0.0283
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0589	1
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0031	0.0484	0.0649
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0589	1
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0589	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0084	0.0062
Leishmania major	lysyl-tRNA synthetase, putative	0.0023	0.0283	0.395
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0109	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0084	0.0062
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0031	0.0469	0.0659
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0283	0.0405
Echinococcus granulosus	solute carrier family 22	0.0014	0.0084	0.0114
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0036	0.0589	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0084	0.0062
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0031	0.0484	0.0404
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0469	0.0676
Echinococcus granulosus	calcium dependent protein kinase	0.0029	0.0438	0.0631
Mycobacterium ulcerans	integral membrane transport protein	0.0014	0.0084	0.2954
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0484	0.0649
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0084	0.0114
Entamoeba histolytica	protein kinase, putative	0.0031	0.0484	1
Schistosoma mansoni	importin beta-1	0.0028	0.0411	0.0591
Entamoeba histolytica	hypothetical protein	0.0023	0.0285	0.2003
Schistosoma mansoni	protein kinase	0.0031	0.0484	0.0698
Entamoeba histolytica	protein kinase, putative	0.0031	0.0484	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0469	0.0627
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0235	0.2987
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0327	0.0245
Leishmania major	hypothetical protein, conserved	0.0025	0.0327	0.481
Schistosoma mansoni	sugar transporter	0.0014	0.0084	0.0114
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0019	0.0202	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0084	0.0062
Brugia malayi	lysyl-tRNA synthetase	0.0023	0.0283	0.0342
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0493	0.8107
Echinococcus multilocularis	geminin	0.0166	0.3662	0.5333
Trypanosoma cruzi	hexose transporter	0.0032	0.0493	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0084	0.0062
Leishmania major	glucose transporter, lmgt2	0.0032	0.0493	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0327	0.0418
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0084	0.0062
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0023	0.0283	0.395
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0897	0.1391
Schistosoma mansoni	sugar transporter	0.0014	0.0084	0.0114
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0235	0.0258
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0469	0.0676
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0493	0.8107
Echinococcus granulosus	General substrate transporter	0.0088	0.1821	0.2648
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0165	0.3649	0.3595
Loa Loa (eye worm)	hypothetical protein	0.0261	0.5927	0.863
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.216	0.3143
Trichomonas vaginalis	ran, putative	0.0021	0.0235	0.0727
Brugia malayi	hypothetical protein	0.0016	0.012	0.0062
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0109	0.0151
Brugia malayi	sulfakinin receptor protein	0.0261	0.5927	1
Echinococcus multilocularis	snurportin 1	0.0301	0.6861	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0859	0.1327
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0589	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0897	0.1254
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0014	0.0084	0.2954
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0493	0.1973
Giardia lamblia	Prolyl-tRNA synthetase	0.0031	0.0469	1
Brugia malayi	hypothetical protein	0.0231	0.5212	0.8775
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0235	0.2987
Brugia malayi	Importin beta-1 subunit	0.0028	0.0411	0.056
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.216	0.3143
Schistosoma mansoni	sugar transporter	0.0014	0.0084	0.0114
Echinococcus granulosus	geminin	0.0166	0.3662	0.5333
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0411	0.0541
Brugia malayi	Cam kinase protein 1	0.0031	0.0484	0.0685
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0014	0.0084	0.0114
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0493	0.8107
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0235	0.3918
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0493	0.8107
Schistosoma mansoni	protein kinase	0.0031	0.0484	0.0698
Echinococcus granulosus	solute carrier family 22	0.0014	0.0084	0.0114
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0327	0.481
Leishmania major	glucose transporter, lmgt3	0.0032	0.0493	0.8107
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0493	0.8107
Echinococcus multilocularis	survival motor neuron protein 1	0.0231	0.5212	0.7594
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0493	0.8107
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0327	0.0375
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0109	0.0098
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0327	0.0245
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0084	0.0062
Schistosoma mansoni	glucose transporter	0.0014	0.0084	0.0114
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0031	0.0484	0.0404
Echinococcus granulosus	lysyl tRNA synthetase	0.0023	0.0283	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0084	0.0062
Toxoplasma gondii	protein kinase, putative	0.0288	0.6571	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0897	0.1391
Trichomonas vaginalis	CAMK family protein kinase	0.0031	0.0484	0.1927
Treponema pallidum	prolyl-tRNA synthetase	0.0011	0	0.5
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0165	0.3649	0.3595
Schistosoma mansoni	hypothetical protein	0.0102	0.216	0.3143
Schistosoma mansoni	hypothetical protein	0.0047	0.0859	0.1245
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0285	0.3975
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0031	0.0484	0.7919
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0031	0.0484	0.0404
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0031	0.0484	0.0617
Entamoeba histolytica	hypothetical protein	0.0023	0.0283	0.1953
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0084	0.0062
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.216	0.3143
Schistosoma mansoni	hypothetical protein	0.0015	0.0109	0.0151
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0411	0.033
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0084	0.0062
Giardia lamblia	Lysyl-tRNA synthetase	0.0023	0.0283	0.5182
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0493	0.8107
Schistosoma mansoni	glucose transport protein	0.0102	0.216	0.3143
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0493	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0469	0.0627
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0484	0.0698
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0484	0.0698
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0484	0.0698
Schistosoma mansoni	protein kinase	0.0031	0.0484	0.0698
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0484	0.0698
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0493	0.8107
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0032	0.0493	0.8107
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.216	0.3143

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= -2.53 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= -2.02 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= -1.21 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 0 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 3 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 4 %	GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 95 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition frequency index (IFI) (functional)	= 0.78	Inhibition Frequency Index (IFI)	GSK.	20485427
Ki (binding)	= -7.47	Evaluated in vitro for Cholecystokinin type B receptor affinity by measuring its ability to displace tritiated CCK-8S bound on guinea pig brain Cholecystokinin type B receptor	ChEMBL.	No reference
Ki (binding)	= -5.85	Evaluated in vitro for Cholecystokinin type A receptor affinity by measuring its ability to displace tritiated CCK-8S bound on rat pancreas Cholecystokinin type A receptor	ChEMBL.	No reference
Log Ki (binding)	= 5.85	Evaluated in vitro for Cholecystokinin type A receptor affinity by measuring its ability to displace tritiated CCK-8S bound on rat pancreas Cholecystokinin type A receptor	ChEMBL.	No reference
Log Ki (binding)	= 7.47	Evaluated in vitro for Cholecystokinin type B receptor affinity by measuring its ability to displace tritiated CCK-8S bound on guinea pig brain Cholecystokinin type B receptor	ChEMBL.	No reference
Percent growth inhibition (functional)	= 0 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 3 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 4 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 95 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
Ratio (binding)	= 42	Ratio of CCK-B receptor affinity and CCK-A receptor affinity	ChEMBL.	No reference
XC50 (functional)	= 6.12	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.75178 uM	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth.	ChEMBL.	20485427

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: CHEMBL318291
Search by GSK

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 167225