TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 422.902 | Formula: C21H27ClN2O5
H donors: 2 H acceptors: 2 LogP: 2.47 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CNCCOCC1=NC(=C(C(/C/1=C(/OCC)\O)c1ccccc1Cl)C(=O)OC)C
InChi: 1S/C21H27ClN2O5/c1-5-29-21(26)19-16(12-28-11-10-23-3)24-13(2)17(20(25)27-4)18(19)14-8-6-7-9-15(14)22/h6-9,18,23,26H,5,10-12H2,1-4H3/b21-19+
InChiKey: CBBHIWLEXJRAMA-XUTLUUPISA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	dihydrofolate reductase	0.8185	1	1
Onchocerca volvulus		0.003	0.0007	0.0015
Echinococcus granulosus	lysine specific demethylase 5A	0.0108	0.0102	0.0102
Loa Loa (eye worm)	hypothetical protein	0.015	0.0154	0.0154
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.3844	0.4681	0.4674
Echinococcus multilocularis	phd:f box containing protein	0.0028	0.0005	0.0005
Echinococcus multilocularis	carboxylesterase 5A	0.1557	0.1878	0.1878
Echinococcus granulosus	phd:f box containing protein	0.0028	0.0005	0.0005
Toxoplasma gondii	ABC1 family protein	0.0035	0.0013	0.0008
Brugia malayi	Carboxylesterase family protein	0.0263	0.0292	0.0292
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0879	0.1047	0.5
Toxoplasma gondii	PHD-finger domain-containing protein	0.0088	0.0077	0.0076
Echinococcus multilocularis	jumonji domain containing protein	0.0122	0.0119	0.0119
Plasmodium falciparum	phd finger protein, putative	0.0088	0.0077	0.0076
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.0243	0.0231
Schistosoma mansoni	hypothetical protein	0.0029	0.0005	0.0005
Brugia malayi	Carboxylesterase family protein	0.0263	0.0292	0.0292
Schistosoma mansoni	protein phosphatase 2C	0.0028	0.0005	0.0005
Brugia malayi	jmjC domain containing protein	0.0108	0.0102	0.0102
Brugia malayi	Carboxylesterase family protein	0.1557	0.1878	0.1878
Onchocerca volvulus		0.0035	0.0013	0.0027
Loa Loa (eye worm)	acetylcholinesterase 1	0.1557	0.1878	0.1878
Toxoplasma gondii	PHD-finger domain-containing protein	0.0088	0.0077	0.0076
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0032	0.0032
Echinococcus granulosus	thymidylate synthase	0.3844	0.4681	0.4681
Brugia malayi	beta-lactamase family protein	0.0035	0.0013	0.0013
Echinococcus granulosus	PHD finger protein rhinoceros	0.0088	0.0077	0.0077
Loa Loa (eye worm)	PHD-finger family protein	0.0088	0.0077	0.0077
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0088	0.0077	0.0077
Schistosoma mansoni	hypothetical protein	0.0345	0.0393	0.0393
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.003	0.0006	0.0006
Mycobacterium ulcerans	carboxylesterase, LipT	0.0263	0.0292	0.028
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0429	0.0496	0.0484
Trichomonas vaginalis	set domain proteins, putative	0.0242	0.0266	0.1153
Brugia malayi	jmjC domain containing protein	0.0028	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0012	0.0012
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0042	0.0029
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0013	0.0013
Loa Loa (eye worm)	jmjC domain-containing protein	0.0181	0.0192	0.0192
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0212	0.023	0.023
Brugia malayi	beta-lactamase family protein	0.0035	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.1557	0.1878	0.1878
Trichomonas vaginalis	spcc417.12 protein, putative	0.0263	0.0292	0.1272
Echinococcus granulosus	para nitrobenzyl esterase	0.0263	0.0292	0.0292
Schistosoma mansoni	jumonji domain containing protein	0.0028	0.0005	0.0005
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0013	0.0008
Echinococcus granulosus	lysine specific demethylase 6a	0.0028	0.0005	0.0005
Brugia malayi	Carboxylesterase family protein	0.0263	0.0292	0.0292
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0013	0.0013
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.1829	0.2211	0.2301
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0786	0.0933	0.0933
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0263	0.0292	0.1272
Schistosoma mansoni	gliotactin	0.0263	0.0292	0.0292
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.005	0.0032	0.0032
Leishmania major	hypothetical protein, conserved	0.0035	0.0013	0.0008
Brugia malayi	jmjC domain containing protein	0.0287	0.0322	0.0322
Onchocerca volvulus		0.0035	0.0013	0.0027
Echinococcus multilocularis	dihydrofolate reductase	0.8185	1	1
Schistosoma mansoni	hypothetical protein	0.0088	0.0077	0.0077
Echinococcus multilocularis	para nitrobenzyl esterase	0.0263	0.0292	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0013	0.0013
Loa Loa (eye worm)	carboxylesterase	0.1557	0.1878	0.1878
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0013	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0023	0.0023
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0014	0.0014
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0013	0.0013
Brugia malayi	thymidylate synthase	0.3844	0.4681	0.4681
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0429	0.0496	0.0484
Echinococcus granulosus	peregrin	0.009	0.008	0.008
Onchocerca volvulus		0.0263	0.0292	0.0624
Echinococcus multilocularis	geminin	0.0345	0.0393	0.0393
Onchocerca volvulus		0.0263	0.0292	0.0624
Echinococcus granulosus	carboxylesterase 5A	0.1557	0.1878	0.1878
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0042	0.0042
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0108	0.0102	0.0102
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0088	0.0077	0.0077
Plasmodium vivax	hypothetical protein, conserved	0.0088	0.0077	0.0076
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.7852	0.9592	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0028	0.0028
Echinococcus multilocularis	acetylcholinesterase	0.1557	0.1878	0.1878
Echinococcus multilocularis	peregrin	0.009	0.008	0.008
Loa Loa (eye worm)	hypothetical protein	0.0951	0.1136	0.1136
Schistosoma mansoni	hypothetical protein	0.0034	0.0012	0.0012
Loa Loa (eye worm)	dihydrofolate reductase	0.8185	1	1
Loa Loa (eye worm)	hypothetical protein	0.1557	0.1878	0.1878
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.3844	0.4681	0.4674
Brugia malayi	PHD-finger family protein	0.0025	0.0001	0.0001
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0007	0.0007
Onchocerca volvulus		0.0242	0.0266	0.0569
Brugia malayi	jmjC domain containing protein	0.0028	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0263	0.0292	0.0292
Schistosoma mansoni	phd/f-box containing protein	0.0028	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0013	0.0013
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0042	0.0029
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0028	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0013	0.0013
Echinococcus multilocularis	acetylcholinesterase	0.1557	0.1878	0.1878
Schistosoma mansoni	jumonji domain containing protein	0.0228	0.0249	0.0249
Loa Loa (eye worm)	hypothetical protein	0.0263	0.0292	0.0292
Brugia malayi	hypothetical protein	0.0263	0.0292	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0017	0.0017
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.7852	0.9592	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0042	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0013	0.0013
Brugia malayi	Bromodomain containing protein	0.0076	0.0063	0.0063
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0263	0.0292	0.0292
Loa Loa (eye worm)	jmjC domain-containing protein	0.0028	0.0005	0.0005
Chlamydia trachomatis	dihydrofolate reductase	0.8185	1	0.5
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0263	0.0292	0.028
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0879	0.1047	0.4704
Brugia malayi	PHD-finger family protein	0.0031	0.0007	0.0007
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0879	0.1047	0.4704
Loa Loa (eye worm)	jmjC domain-containing protein	0.0028	0.0005	0.0005
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0032	0.0032
Onchocerca volvulus		0.3844	0.4681	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0028	0.0005	0.0005
Brugia malayi	hypothetical protein	0.1829	0.2211	0.2211
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0012	0.0012
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0263	0.0292	0.0292
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0005	0.0005
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0263	0.0292	0.028
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0048	0.0028	0.0028
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.7852	0.9592	1
Trichomonas vaginalis	conserved hypothetical protein	0.1829	0.2211	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0042	0.0029
Schistosoma mansoni	BC026374 protein (S09 family)	0.0263	0.0292	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0263	0.0292	0.0292
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0879	0.1047	0.4704
Brugia malayi	F/Y-rich N-terminus family protein	0.0032	0.0009	0.0009
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0013	0.0008
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0494	0.0575	0.0575
Brugia malayi	Carboxylesterase family protein	0.1557	0.1878	0.1878
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0057	0.0057
Brugia malayi	Bromodomain containing protein	0.009	0.008	0.008
Onchocerca volvulus		0.0263	0.0292	0.0624
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0263	0.0292	0.0292
Echinococcus multilocularis	JmjC domain containing protein 4	0.0028	0.0005	0.0005
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1557	0.1878	0.1878
Brugia malayi	Pre-SET motif family protein	0.0212	0.023	0.023
Echinococcus granulosus	histone lysine methyltransferase setb	0.0048	0.0028	0.0028
Echinococcus granulosus	geminin	0.0345	0.0393	0.0393
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0263	0.0292	0.0292
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0108	0.0102	0.0102
Brugia malayi	beta-lactamase	0.0035	0.0013	0.0013
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0263	0.0292	0.0292
Brugia malayi	AF-10 protein	0.0029	0.0005	0.0005
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.006	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0077	0.0077
Brugia malayi	jmjC domain containing protein	0.0028	0.0005	0.0005
Brugia malayi	Carboxylesterase family protein	0.0263	0.0292	0.0292
Echinococcus granulosus	BC026374 protein S09 family	0.0263	0.0292	0.0292
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0013	0.0013
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0013	0.0013
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.006	0.0044	0.0044
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.8185	1	1
Loa Loa (eye worm)	hypothetical protein	0.0263	0.0292	0.0292
Echinococcus granulosus	acetylcholinesterase	0.1557	0.1878	0.1878
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0042	0.0042
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0042	0.0039
Echinococcus multilocularis	lysine specific demethylase 5A	0.0106	0.01	0.01
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.003	0.0007	0.0007
Giardia lamblia	Fructose-bisphosphate aldolase	0.0879	0.1047	1
Brugia malayi	Dihydrofolate reductase	0.8185	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0879	0.1047	0.4704
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.7852	0.9592	1
Echinococcus granulosus	JmjC domain containing protein 4	0.0028	0.0005	0.0005
Echinococcus multilocularis	neuroligin	0.0263	0.0292	0.0292
Echinococcus multilocularis	lysine specific demethylase 6a	0.0028	0.0005	0.0005
Echinococcus granulosus	neuroligin	0.0263	0.0292	0.0292
Onchocerca volvulus		0.0263	0.0292	0.0624
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0263	0.0292	0.0292
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0879	0.1047	0.4704
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0005	0.0005
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0287	0.0322	0.0322
Schistosoma mansoni	acetylcholinesterase	0.0263	0.0292	0.0292
Schistosoma mansoni	hypothetical protein	0.0345	0.0393	0.0393
Loa Loa (eye worm)	hypothetical protein	0.0951	0.1136	0.1136
Schistosoma mansoni	phosphatidylserine receptor	0.0028	0.0005	0.0005
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0429	0.0496	0.0484
Echinococcus granulosus	acetylcholinesterase	0.1557	0.1878	0.1878
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0263	0.0292	0.0292
Onchocerca volvulus		0.0035	0.0013	0.0027
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.8185	1	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0263	0.0292	0.0292
Loa Loa (eye worm)	carboxylesterase	0.0263	0.0292	0.0292
Loa Loa (eye worm)	jmjC domain-containing protein	0.0108	0.0102	0.0102
Mycobacterium ulcerans	thymidylate synthase	0.3844	0.4681	0.4674
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0263	0.0292	0.028
Onchocerca volvulus	Alhambra homolog	0.0088	0.0077	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0007	0.0007
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.7852	0.9592	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0032	0.0032
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0879	0.1047	0.4704
Brugia malayi	jmjC domain containing protein	0.0028	0.0005	0.0005
Echinococcus multilocularis	jumonji domain containing 1A	0.0028	0.0005	0.0005
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0042	0.0029
Echinococcus granulosus	jumonji domain containing protein	0.0122	0.0119	0.0119
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0879	0.1047	0.4704
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0006	0.0006
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0007	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0041	0.002	0.002
Echinococcus granulosus	jumonji domain containing 1A	0.0028	0.0005	0.0005
Mycobacterium tuberculosis	Hypothetical protein	0.1829	0.2211	0.2201
Echinococcus multilocularis	thymidylate synthase	0.3844	0.4681	0.4681
Loa Loa (eye worm)	thymidylate synthase	0.3844	0.4681	0.4681
Brugia malayi	Bromodomain containing protein	0.0039	0.0017	0.0017
Brugia malayi	Pre-SET motif family protein	0.003	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0263	0.0292	0.0292
Onchocerca volvulus		0.0263	0.0292	0.0624
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0042	0.0042
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0287	0.0322	0.0322
Treponema pallidum	fructose-bisphosphate aldolase	0.0879	0.1047	0.5
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.003	0.0007	0.0007
Schistosoma mansoni	bromodomain containing protein	0.0064	0.0048	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0013	0.0013
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0263	0.0292	0.0292
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.7852	0.9592	1
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0013	0.0008
Brugia malayi	PHD-finger family protein	0.0088	0.0077	0.0077
Brugia malayi	follicle stimulating hormone receptor	0.0494	0.0575	0.0575
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0028	0.0005	0.0005
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.8185	1	1
Plasmodium vivax	SET domain protein, putative	0.003	0.0007	0.0003
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0042	0.0039
Loa Loa (eye worm)	carboxylesterase	0.0263	0.0292	0.0292
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0007	0.0007
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0879	0.1047	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0028	0.0028
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0879	0.1047	0.4704
Schistosoma mansoni	dihydrofolate reductase	0.8185	1	1
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.3844	0.4681	0.4681

Activities

Activity type	Activity value	Assay description	Source	Reference
-Log IC25 (functional)	= 7.5	Negative inotropy measured as the concentration required to depress contraction in the isolated Langendorff-perfused guinea pig heart by 25%	ChEMBL.	2943898
-Log IC50 (functional)	= 8.5	In vitro calcium antagonist activity was assessed against calcium induced constriction of potassium-depolarized rat aorta	ChEMBL.	2943898
Decrease (functional)	= 46.2 %	Percent decrease in coronary vascular resistance in dogs after intravenous dosage of 50 ug/kg compound	ChEMBL.	2943898
Decrease (functional)	= 73.8 %	Percent decrease in coronary vascular resistance in dogs after intravenous dosage of 450 ug/kg compound	ChEMBL.	2943898
Decrease (functional)	= 78.6 %	Percent decrease in coronary vascular resistance in dogs after intravenous dosage of 1500 ug/kg compound	ChEMBL.	2943898

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: CHEMBL47909

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 67068