TDR Targets

Basic information

Technical information

TDR Targets ID: 1369362
Name: [5-[(4-methoxyphenyl)methylamino]-3-pyridin-3 -yl-1,2,4-triazol-1-yl]-thiophen-2-ylmethanon e
MW: 391.446 | Formula: C20H17N5O2S
H donors: 1 H acceptors: 4 LogP: 4.48 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)CNc1nc(nn1C(=O)c1cccs1)c1cccnc1
InChi: 1S/C20H17N5O2S/c1-27-16-8-6-14(7-9-16)12-22-20-23-18(15-4-2-10-21-13-15)24-25(20)19(26)17-5-3-11-28-17/h2-11,13H,12H2,1H3,(H,22,23,24)
InChiKey: HBXZIRFOKDTKEF-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

[5-[(4-methoxyphenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(2-thienyl)methanone
[5-[(4-methoxybenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(2-thienyl)methanone
[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone
ZINC02887450
N-(4-methoxybenzyl)-3-(3-pyridinyl)-1-(2-thienylcarbonyl)-1H-1,2,4-triazol-5-amine
SMR000082640
MLS000052803

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0065	0.009	0.0283
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0123	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0091	0.0074
Trichomonas vaginalis	ribosomal protein S6 kinase, 90kD, polypeptide, putative	0.0051	0.0033	0.0474
Entamoeba histolytica	protein kinase 2, putative	0.0064	0.0085	0.0189
Schistosoma mansoni	serine/threonine-protein kinase	0.0066	0.0094	0.0243
Entamoeba histolytica	protein kinase, putative	0.0127	0.034	0.1002
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0033	0.0474
Echinococcus multilocularis	serine threonine protein kinase	0.0065	0.009	0.0283
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0033	0.0474
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.0024	0.0198
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0064	0.0085	0.4454
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0078	0.0142	0.0125
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0047	0.0017	0.0054
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.0024	0.0198
Trichomonas vaginalis	AGC family protein kinase	0.0127	0.034	1
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0066	0.0094	0.0217
Schistosoma mansoni	serine/threonine protein kinase	0.0065	0.009	0.023
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0127	0.034	0.0323
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.0024	0.0198
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.0024	0.0198
Echinococcus granulosus	rho-associated protein kinase 1	0.0814	0.3109	0.9755
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0033	0.0474
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0085	0.017	0.0534
Echinococcus granulosus	cGMP dependent protein kinase	0.0085	0.017	0.0534
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0065	0.009	0.0283
Schistosoma mansoni	serine/threonine protein kinase	0.0073	0.0123	0.0334
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0047	0.0017	0.0054
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0073	0.0123	0.0106
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0065	0.009	0.0073
Brugia malayi	C1-like domain containing protein	0.0078	0.0142	0.0125
Schistosoma mansoni	serine/threonine protein kinase	0.0065	0.009	0.023
Echinococcus multilocularis	rac serine:threonine kinase	0.0066	0.0094	0.0296
Onchocerca volvulus		0.0076	0.0133	0.0138
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0064	0.0085	0.0268
Trichomonas vaginalis	cAMP-dependent protein kinase catalytic subunit, putative	0.0049	0.0024	0.0198
Schistosoma mansoni	serine/threonine protein kinase	0.0085	0.017	0.0482
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0064	0.0085	1
Toxoplasma gondii	AGC kinase	0.0125	0.0331	1
Echinococcus granulosus	nervana 2	0.006	0.0068	0.0214
Schistosoma mansoni	serine/threonine protein kinase	0.0065	0.009	0.023
Brugia malayi	Protein kinase domain containing protein	0.0127	0.034	0.0323
Trichomonas vaginalis	serine/threonine-protein kinase, putative	0.0049	0.0024	0.0198
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0123	1
Trichomonas vaginalis	3-phosphoinositide dependent protein kinase-1, putative	0.0051	0.0033	0.0474
Entamoeba histolytica	protein kinase, putative	0.0127	0.034	0.1002
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0125	0.0331	0.0314
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.0024	0.0198
Trichomonas vaginalis	serine/threonine-protein kinase ypk, putative	0.0049	0.0024	0.0198
Onchocerca volvulus		0.0814	0.3109	1
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0033	0.0474
Entamoeba histolytica	protein kinase, putative	0.0065	0.009	0.0204
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.3187	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0065	0.009	0.0283
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0047	0.0017	0.0054
Onchocerca volvulus		0.081	0.3091	0.9942
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0073	0.0123	0.0386
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.0024	0.0198
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0085	0.017	0.0534
Trichomonas vaginalis	AGC family protein kinase	0.0127	0.034	1
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0033	0.0474
Echinococcus granulosus	protein kinase c iota type	0.0073	0.0123	0.0386
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0064	0.0085	0.8842
Schistosoma mansoni	serine/threonine protein kinase	0.0814	0.3109	0.9753
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0047	0.0017	0.0054
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.0024	0.0198
Echinococcus multilocularis	protein kinase c epsilon type	0.0073	0.0123	0.0386
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0033	0.0474
Brugia malayi	Protein kinase domain containing protein	0.0065	0.009	0.0073
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.0024	0.0198
Trichomonas vaginalis	AGC family protein kinase	0.011	0.027	0.7813
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0065	0.009	0.0283
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0066	0.0094	1
Echinococcus multilocularis	rho associated protein kinase	0.0814	0.3109	0.9755
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0123	0.0385
Echinococcus multilocularis	expressed conserved protein	0.0085	0.017	0.0534
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0033	0.0474
Trichomonas vaginalis	AGC family protein kinase	0.0127	0.034	1
Schistosoma mansoni	serine/threonine protein kinase	0.0073	0.0123	0.0334
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0065	0.009	0.0283
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0064	0.0085	0.0268
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0123	0.0332
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0033	0.0474
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.0024	0.0198
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0133	0.0116
Schistosoma mansoni	protein kinase C mu	0.0078	0.0142	0.0392
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.007	0.0109	0.0092
Schistosoma mansoni	serine/threonine-protein kinase	0.0066	0.0094	0.0243
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0065	0.009	0.0283
Schistosoma mansoni	atypical protein kinase C	0.0073	0.0123	0.0334
Echinococcus granulosus	NDR protein kinase	0.0065	0.009	0.0283
Schistosoma mansoni	serine/threonine protein kinase	0.0085	0.017	0.0482
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.0024	0.0198
Echinococcus granulosus	serine/threonine protein kinase	0.0066	0.0094	0.0296
Echinococcus granulosus	serine:threonine protein kinase N2	0.0065	0.009	0.0283
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0033	0.0474
Echinococcus granulosus	protein kinase c epsilon type	0.0073	0.0123	0.0386
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0065	0.009	0.0073
Toxoplasma gondii	protein kinase G AGC kinase family member PKG	0.0085	0.017	0.4867
Onchocerca volvulus		0.0074	0.0124	0.0109
Brugia malayi	Egg laying defective protein 4	0.0085	0.017	0.0153
Trichomonas vaginalis	AGC family protein kinase	0.0112	0.0278	0.8089
Echinococcus granulosus	nervana 2	0.006	0.0068	0.0214
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0123	0.3356
Brugia malayi	Protein kinase domain containing protein	0.011	0.027	0.0253
Echinococcus granulosus	Glutaredoxin protein 5	0.006	0.0068	0.0214
Echinococcus multilocularis	nervana 2	0.006	0.0068	0.0214
Trypanosoma cruzi	Protein kinase B	0.0066	0.0094	1
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0065	0.009	0.0283
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0105	0.0252	0.7276
Schistosoma mansoni	serine/threonine protein kinase	0.0073	0.0123	0.0334
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0065	0.009	0.0283
Trichomonas vaginalis	AGC family protein kinase	0.011	0.027	0.7813
Brugia malayi	protein kinase C II.	0.0073	0.0123	0.0106
Echinococcus granulosus	protein kinase C gamma type	0.0065	0.009	0.0283
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0127	0.034	1
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0085	0.017	0.0534
Echinococcus multilocularis	protein kinase c iota type	0.0073	0.0123	0.0386
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0033	0.0474
Echinococcus multilocularis	Glutaredoxin protein 5	0.006	0.0068	0.0214
Loa Loa (eye worm)	AGC/PKG protein kinase	0.0085	0.017	0.0153
Echinococcus granulosus	serine threonine protein kinase nrc	0.0064	0.0085	0.0268
Echinococcus granulosus	Protein kinase C brain isozyme	0.0073	0.0123	0.0386
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0047	0.0017	0.0054
Trichomonas vaginalis	AGC family protein kinase	0.0127	0.034	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0124	0.0107
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.006	0.0068	0.0214
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0047	0.0017	0.0054
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.0024	0.0198
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0065	0.009	0.0073
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.0024	0.0198
Entamoeba histolytica	hypothetical protein	0.0827	0.316	1
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0033	0.0474
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.3187	1
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0033	0.0474
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.0024	0.0198
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.0024	0.0198
Brugia malayi	Hr1 repeat family protein	0.0065	0.009	0.0073
Trichomonas vaginalis	AGC family protein kinase	0.0127	0.034	1
Giardia lamblia	Kinase, AGC PKA	0.0064	0.0085	1
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0033	0.0474
Plasmodium falciparum	cGMP-dependent protein kinase	0.0085	0.017	1
Brugia malayi	p70 ribosomal S6 kinase beta	0.0125	0.0331	0.0314
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0033	0.0474
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0065	0.009	0.0283
Mycobacterium ulcerans	hypothetical protein	0.0081	0.0153	1
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0047	0.0017	0.0054
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.006	0.0068	0.0214
Trichomonas vaginalis	AGC family protein kinase	0.0127	0.034	1
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.3187	1
Entamoeba histolytica	protein kinase, putative	0.0125	0.0331	0.0973
Schistosoma mansoni	serine/threonine protein kinase	0.0065	0.009	0.023
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0033	0.0474
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.2523	1	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0091	0.0074
Schistosoma mansoni	serine/threonine kinase	0.0065	0.009	0.023
Trichomonas vaginalis	AGC family protein kinase	0.0065	0.009	0.2259
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0123	0.0385
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0066	0.0094	0.0217
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.0024	0.0198
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0085	0.017	0.0534
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.0024	0.0198
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.011	0.027	0.0253
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.0024	0.0198
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0033	0.0474
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0123	0.5
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0078	0.0142	0.0125
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0065	0.009	0.0073
Echinococcus multilocularis	nervana 2	0.006	0.0068	0.0214
Trichomonas vaginalis	AGC family protein kinase	0.0127	0.034	1
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.0024	0.0198
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.0024	0.0198
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0033	0.0474
Loa Loa (eye worm)	hypothetical protein	0.0065	0.009	0.0073

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	4.1475 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 5.0119 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (binding)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1491278

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1369362