TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 390.283 | Formula: C19H13Cl2NO2S
H donors: 1 H acceptors: 3 LogP: 4.9 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1ccccc1SC1=C(O)CC(CC1=O)c1c(Cl)cccc1Cl
InChi: 1S/C19H13Cl2NO2S/c20-13-5-3-6-14(21)18(13)12-8-15(23)19(16(24)9-12)25-17-7-2-1-4-11(17)10-22/h1-7,12,23H,8-9H2
InChiKey: AYRNGMFSOUXWOQ-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
Homo sapiens	lactate dehydrogenase B	Starlite/ChEMBL	References
Homo sapiens	lactate dehydrogenase C	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 9	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 1, subfamily A, polypeptide 2	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily D, polypeptide 6	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Cryptosporidium parvum	malate dehydrogenase, adjacent gene encodes predicted lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Toxoplasma gondii	lactate dehydrogenase LDH1	Get druggable targets OG5_126911	All targets in OG5_126911
Schistosoma japonicum	L-lactate dehydrogenase B chain, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	lactate dehydrogenase a	Get druggable targets OG5_126911	All targets in OG5_126911
Theileria parva	L-lactate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	malate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Plasmodium falciparum	L-lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Wolbachia endosymbiont of Brugia malayi	malate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Entamoeba histolytica	malate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	lactate dehydrogenase a	Get druggable targets OG5_126911	All targets in OG5_126911
Leishmania infantum	malate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Toxoplasma gondii	malate dehydrogenase MDH	Get druggable targets OG5_126911	All targets in OG5_126911
Echinococcus multilocularis	lactate dehydrogenase a	Get druggable targets OG5_126911	All targets in OG5_126911
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Plasmodium yoelii	malate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Neospora caninum	Malate dehydrogenase (NAD) (EC 1.1.1.37) (Precursor), related	Get druggable targets OG5_126911	All targets in OG5_126911
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Cryptosporidium hominis	lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Schistosoma mansoni	malate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Toxoplasma gondii	lactate dehydrogenase LDH2	Get druggable targets OG5_126911	All targets in OG5_126911
Leishmania donovani	malate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Neospora caninum	Malate dehydrogenase (EC 1.1.1.37), related	Get druggable targets OG5_126911	All targets in OG5_126911
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	L lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Plasmodium yoelii	l-lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Plasmodium knowlesi	malate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Cryptosporidium parvum	lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Schistosoma japonicum	L-lactate dehydrogenase A chain, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Plasmodium knowlesi	L-lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Leishmania major	malate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Echinococcus multilocularis	L lactate dehydrogenase B chain	Get druggable targets OG5_126911	All targets in OG5_126911
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	lactate dehydrogenase.	Get druggable targets OG5_126911	All targets in OG5_126911
Echinococcus multilocularis	lactate dehydrogenase a	Get druggable targets OG5_126911	All targets in OG5_126911
Plasmodium falciparum	malate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Plasmodium berghei	L-lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126911	All targets in OG5_126911
Babesia bovis	lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Plasmodium berghei	malate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Leishmania mexicana	malate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Cryptosporidium hominis	malate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Plasmodium vivax	lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma mansoni	L-lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	lactate dehydrogenase protein	Get druggable targets OG5_126911	All targets in OG5_126911
Neospora caninum	Malate dehydrogenase (EC 1.1.1.37), related	Get druggable targets OG5_126911	All targets in OG5_126911
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	L lactate dehydrogenase	Get druggable targets OG5_126911	All targets in OG5_126911
Echinococcus granulosus	L lactate dehydrogenase B chain	Get druggable targets OG5_126911	All targets in OG5_126911
Schistosoma japonicum	ko:K00016 L-lactate dehydrogenase [EC1.1.1.27], putative	Get druggable targets OG5_126911	All targets in OG5_126911
Schistosoma japonicum	ko:K00016 L-lactate dehydrogenase [EC1.1.1.27], putative	Get druggable targets OG5_126911	All targets in OG5_126911
Plasmodium vivax	malate dehydrogenase, putative	Get druggable targets OG5_126911	All targets in OG5_126911
Echinococcus granulosus	lactate dehydrogenase a	Get druggable targets OG5_126911	All targets in OG5_126911
Echinococcus granulosus	lactate dehydrogenase protein	Get druggable targets OG5_126911	All targets in OG5_126911

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	cytochrome P450, family 2, subfamily C, polypeptide 9	490 aa	441 aa	21.8 %
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %
Plasmodium falciparum	lactate dehydrogenase, putative	lactate dehydrogenase C	332 aa	307 aa	29.6 %
Brugia malayi	cytochrome P450	cytochrome P450, family 2, subfamily D, polypeptide 6	497 aa	425 aa	32.0 %
Brugia malayi	Cytochrome P450 family protein	cytochrome P450, family 1, subfamily A, polypeptide 2	516 aa	470 aa	26.2 %
Entamoeba histolytica	malate dehydrogenase, putative	lactate dehydrogenase B	334 aa	300 aa	22.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Probable malate dehydrogenase, mitochondrial precursor	0.0043	0.2775	0.2775
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0022	0.0518	0.0518
Trypanosoma cruzi	malate dehydrogenase, putative	0.0043	0.2775	1
Echinococcus granulosus	lactate dehydrogenase protein	0.0111	1	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0043	0.2775	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0043	0.2775	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0022	0.0518	0.0421
Echinococcus granulosus	malate dehydrogenase	0.0043	0.2775	0.2775
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0022	0.0518	0.0421
Leishmania major	cytochrome p450-like protein	0.0028	0.1126	0.1126
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0022	0.0518	0.0518
Loa Loa (eye worm)	CYP4Cod1	0.0028	0.1126	0.1126
Leishmania major	p-glycoprotein	0.0022	0.0518	0.0518
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0043	0.2775	1
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0043	0.2775	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0022	0.0518	0.0421
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0022	0.0518	0.0518
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0022	0.0518	0.0518
Echinococcus multilocularis	ATP binding cassette sub family B	0.0022	0.0493	0.0493
Toxoplasma gondii	lactate dehydrogenase LDH2	0.0111	1	1
Schistosoma mansoni	malate dehydrogenase	0.0043	0.2775	0.2775
Echinococcus granulosus	multidrug resistance protein 1	0.0022	0.0518	0.0518
Brugia malayi	Cytochrome P450 family protein	0.0028	0.1126	0.1126
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0022	0.0518	0.0421
Trypanosoma brucei	mitochondrial malate dehydrogenase	0.0043	0.2775	1
Toxoplasma gondii	lactate dehydrogenase LDH1	0.0111	1	1
Trypanosoma brucei	cytosolic malate dehydrogenase	0.0043	0.2775	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0022	0.0518	0.0421
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0043	0.2775	1
Echinococcus multilocularis	lactate dehydrogenase a	0.0111	1	1
Trypanosoma brucei	malate dehydrogenase-related	0.0043	0.2775	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0043	0.2775	1
Echinococcus multilocularis	lactate dehydrogenase a	0.0111	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0022	0.0518	0.0421
Trichomonas vaginalis	malate dehydrogenase, putative	0.0043	0.2775	1
Onchocerca volvulus		0.0022	0.0518	0.5
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0022	0.0518	0.0518
Entamoeba histolytica	malate dehydrogenase, putative	0.0111	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0022	0.0518	0.0518
Trichomonas vaginalis	malate dehydrogenase, putative	0.0043	0.2775	1
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0043	0.2775	0.2775
Schistosoma mansoni	malate dehydrogenase	0.0043	0.2775	0.2775
Leishmania major	glycosomal malate dehydrogenase	0.0043	0.2775	0.2775
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0022	0.0518	0.0518
Schistosoma mansoni	multidrug resistance protein	0.0022	0.0518	0.0518
Trichomonas vaginalis	taga, putative	0.0022	0.0518	0.0421
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0022	0.0518	0.0518
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0493	0.0493
Brugia malayi	ABC transporter family protein	0.0022	0.0518	0.0518
Trichomonas vaginalis	abcb9, putative	0.0022	0.0518	0.0421
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0043	0.2775	1
Echinococcus granulosus	malate dehydrogenase	0.0043	0.2775	0.2775
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0043	0.2775	0.2775
Echinococcus granulosus	multidrug resistance protein 1	0.0022	0.0518	0.0518
Trichomonas vaginalis	malate dehydrogenase, putative	0.0043	0.2775	1
Brugia malayi	multidrug resistance protein 3	0.0022	0.0518	0.0518
Echinococcus granulosus	L lactate dehydrogenase	0.0068	0.5406	0.5406
Wolbachia endosymbiont of Brugia malayi	malate dehydrogenase	0.0111	1	0.5
Brugia malayi	Cytochrome P450 family protein	0.004	0.2452	0.2452
Schistosoma mansoni	multidrug resistance protein	0.0022	0.0518	0.0518
Echinococcus granulosus	lactate dehydrogenase a	0.0111	1	1
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0043	0.2775	1
Trypanosoma brucei	glycosomal malate dehydrogenase	0.0043	0.2775	1
Schistosoma mansoni	malate dehydrogenase	0.0043	0.2775	0.2775
Leishmania major	malate dehydrogenase, putative	0.0043	0.2775	0.2775
Trypanosoma cruzi	malate dehydrogenase, putative	0.0043	0.2775	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0022	0.0518	0.0518
Trichomonas vaginalis	malate dehydrogenase, putative	0.0043	0.2775	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0028	0.1126	0.1126
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0022	0.0518	0.0421
Echinococcus multilocularis	L lactate dehydrogenase B chain	0.0111	1	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.004	0.2452	0.2452
Trichomonas vaginalis	malate dehydrogenase, putative	0.0043	0.2775	1
Plasmodium vivax	malate dehydrogenase, putative	0.0111	1	1
Trypanosoma cruzi	cytochrome P450, putative	0.0028	0.1126	0.4058
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0022	0.0518	0.0518
Brugia malayi	Cytochrome P450 family protein	0.0028	0.1126	0.1126
Leishmania major	cytosolic malate dehydrogenase	0.0043	0.2775	0.2775
Loa Loa (eye worm)	malate dehydrogenase	0.0043	0.2775	0.2775
Trypanosoma brucei	cytochrome P450, putative	0.0028	0.1126	0.4058
Trichomonas vaginalis	ABC transporter, putative	0.0022	0.0518	0.0421
Loa Loa (eye worm)	malate dehydrogenase	0.0043	0.2775	0.2775
Trypanosoma cruzi	cytochrome P450, putative	0.0028	0.1126	0.4058
Schistosoma mansoni	L-lactate dehydrogenase	0.0111	1	1
Echinococcus multilocularis	lactate dehydrogenase protein	0.0111	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0022	0.0518	0.0421
Chlamydia trachomatis	malate dehydrogenase	0.0043	0.2775	1
Plasmodium vivax	lactate/malate dehydrogenase, putative	0.0043	0.2775	0.238
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0022	0.0518	0.0421
Mycobacterium ulcerans	malate dehydrogenase	0.0043	0.2775	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0518	0.0518
Plasmodium falciparum	malate dehydrogenase	0.0111	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0022	0.0518	0.0421
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0028	0.1126	0.4058
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0022	0.0518	0.0421
Trichomonas vaginalis	malate dehydrogenase, putative	0.0043	0.2775	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0022	0.0518	0.0421
Trichomonas vaginalis	abcb9, putative	0.0022	0.0518	0.0421
Leishmania major	mitochondrial malate dehydrogenase	0.0043	0.2775	0.2775
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0022	0.0518	0.0421
Echinococcus granulosus	L lactate dehydrogenase B chain	0.0111	1	1
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0022	0.0518	0.1867
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0043	0.2775	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0022	0.0518	0.0421
Leishmania major	malate dehydrogenase	0.0043	0.2775	0.2775
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0022	0.0518	0.0421
Leishmania major	malate dehydrogenase, putative	0.0111	1	1
Mycobacterium leprae	PROBABLE MALATE DEHYDROGENASE MDH	0.0043	0.2775	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0022	0.0518	0.0421
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0022	0.0518	0.0421
Plasmodium falciparum	lactate dehydrogenase, putative	0.0043	0.2775	0.238
Schistosoma mansoni	L-lactate dehydrogenase	0.0043	0.2775	0.2775
Echinococcus multilocularis	malate dehydrogenase	0.0043	0.2775	0.2775
Trichomonas vaginalis	ABC transporter, putative	0.0022	0.0518	0.0421
Trichomonas vaginalis	malate dehydrogenase, putative	0.0043	0.2775	1
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0043	0.2775	0.2775
Entamoeba histolytica	malate dehydrogenase, putative	0.0043	0.2775	0.238
Entamoeba histolytica	malate dehydrogenase,cytoplasmic, putative	0.0043	0.2775	0.238
Loa Loa (eye worm)	multidrug resistance protein 3	0.0022	0.0518	0.0518
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0022	0.0518	0.0421
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0043	0.2775	0.2775
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0022	0.0518	0.0518
Plasmodium falciparum	L-lactate dehydrogenase	0.0111	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0518	0.0518
Echinococcus multilocularis	multidrug resistance protein 1	0.0022	0.0518	0.0518
Toxoplasma gondii	malate dehydrogenase MDH	0.0111	1	1
Brugia malayi	Malate dehydrogenase, cytoplasmic	0.0043	0.2775	0.2775
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0022	0.0518	0.0518
Giardia lamblia	Malate dehydrogenase	0.0043	0.2775	0.5
Trichomonas vaginalis	abcb9, putative	0.0022	0.0518	0.0421
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0043	0.2775	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0022	0.0518	0.0421
Echinococcus granulosus	lactate dehydrogenase a	0.0111	1	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0043	0.2775	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0028	0.1126	0.1126
Echinococcus multilocularis	lactate dehydrogenase a	0.0111	1	1
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0043	0.2775	1
Plasmodium vivax	lactate dehydrogenase	0.0111	1	1
Trypanosoma cruzi	mitochondrial malate dehydrogenase, putative	0.0043	0.2775	1
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0022	0.0518	0.0518
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0022	0.0518	0.0421
Schistosoma mansoni	smdr2	0.0022	0.0518	0.0518
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0022	0.0493	0.0493
Schistosoma mansoni	malate dehydrogenase	0.0111	1	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0043	0.2775	1
Loa Loa (eye worm)	hypothetical protein	0.0111	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0022	0.0518	0.0421
Trichomonas vaginalis	ABC transporter, putative	0.0022	0.0518	0.0421
Mycobacterium tuberculosis	Probable malate dehydrogenase Mdh	0.0043	0.2775	1
Echinococcus granulosus	multidrug resistance protein 1	0.0022	0.0518	0.0518
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0022	0.0518	0.0421
Echinococcus multilocularis	multidrug resistance protein 1	0.0022	0.0518	0.0518
Schistosoma mansoni	multidrug resistance protein	0.0022	0.0518	0.0518
Echinococcus multilocularis	L lactate dehydrogenase	0.0068	0.5406	0.5406
Echinococcus multilocularis	malate dehydrogenase	0.0043	0.2775	0.2775
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0022	0.0518	0.0421

Activities

Activity type	Activity value	Assay description	Source	Reference
CL (ADMET)	= 12 ml/min.kg	Clearance in human liver microsomes at 1 uM up to 60 mins by LC-MS/MS analysis	ChEMBL.	25037916
IC50 (binding)	= 4.9 uM	Inhibition of human recombinant carboxy-terminal His-tagged LDHB by UV endpoint assay	ChEMBL.	25037916
IC50 (ADMET)	> 5 uM	Inhibition of CYP3A4 (unknown origin)	ChEMBL.	25037916
IC50 (ADMET)	> 5 uM	Inhibition of CYP2D6 (unknown origin)	ChEMBL.	25037916
IC50 (ADMET)	> 5 uM	Inhibition of CYP2C9 (unknown origin)	ChEMBL.	25037916
IC50 (ADMET)	> 5 uM	Inhibition of CYP1A2 (unknown origin)	ChEMBL.	25037916
IC50 (binding)	> 100 uM	Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay	ChEMBL.	25037916
Kd (binding)	= 0.43 uM	Inhibition of human recombinant carboxy-terminal His-tagged LDHA by SPR assay	ChEMBL.	25037916

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: CHEMBL3318481

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 921732