TDR Targets

Basic information

Technical information

TDR Targets ID: 1394634
Name: 1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3 -yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]p yrimidin-2-yl)sulfanyl]ethanone
MW: 399.51 | Formula: C20H25N5O2S
H donors: 0 H acceptors: 4 LogP: 3.03 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc(C)n2c(n1)nc(n2)SCC(=O)c1cc(n(c1C)CC1CCCO1)C
InChi: 1S/C20H25N5O2S/c1-12-8-14(3)25-19(21-12)22-20(23-25)28-11-18(26)17-9-13(2)24(15(17)4)10-16-6-5-7-27-16/h8-9,16H,5-7,10-11H2,1-4H3
InChiKey: ZORBBDMTUBYRFV-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

1-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethanone
1-[2,5-dimethyl-1-(2-tetrahydrofuranylmethyl)-3-pyrrolyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]ethanone
1-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]ethanone
SMR000344826
T5280906
MLS001003383

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references
Homo sapiens	huntingtin	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Brugia malayi	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0286	0.2561	0.4342
Entamoeba histolytica	cysteine proteinase, putative	0.0178	0.1411	1
Loa Loa (eye worm)	ctsf protein	0.0178	0.1411	0.2393
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0218	0.0369
Brugia malayi	Cathepsin L-like precursor	0.0178	0.1411	0.2393
Echinococcus granulosus	cysteine protease	0.01	0.0572	0.097
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.1411	0.6703
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0178	0.1411	0.1411
Echinococcus granulosus	cathepsin b	0.0597	0.5897	1
Loa Loa (eye worm)	hypothetical protein	0.0597	0.5897	1
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0123	0.0208
Brugia malayi	cathepsin B-like cysteine proteinase	0.0597	0.5897	1
Brugia malayi	Cathepsin L-like precursor	0.0125	0.0839	0.1423
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0597	0.5897	1
Plasmodium vivax	vivapain-3	0.01	0.0572	0.4054
Entamoeba histolytica	cysteine protease, putative	0.01	0.0572	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0178	0.1411	0.7737
Trypanosoma cruzi	cruzipain precursor, putative	0.0053	0.007	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0839	0.1423
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0839	0.1423
Brugia malayi	Cathepsin L-like precursor	0.0053	0.007	0.0119
Onchocerca volvulus		0.0178	0.1411	1
Plasmodium vivax	unspecified product	0.01	0.0572	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 1	0.01	0.0572	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.01	0.0572	0.3137
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.1411	0.6703
Entamoeba histolytica	cysteine proteinase 1, putative	0.01	0.0572	0.4054
Loa Loa (eye worm)	fibroinase	0.0178	0.1411	0.2393
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.01	0.0572	0.097
Giardia lamblia	Cathepsin B precursor	0.0217	0.1824	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0597	0.5897	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0178	0.1411	0.7737
Echinococcus multilocularis	cathepsin b	0.0597	0.5897	0.5897
Entamoeba histolytica	cysteine protease, putative	0.01	0.0572	0.4054
Giardia lamblia	Cathepsin B precursor	0.0217	0.1824	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.1411	0.6703
Giardia lamblia	Cathepsin B precursor	0.0217	0.1824	1
Onchocerca volvulus	Cathepsin F homolog	0.0178	0.1411	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0178	0.1411	0.2393
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0178	0.1411	0.7737
Brugia malayi	Cathepsin L-like precursor	0.0125	0.0839	0.1423
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0178	0.1411	0.7737
Brugia malayi	cathepsin L-like precursor	0.0125	0.0839	0.1423
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0178	0.1411	0.7737
Schistosoma mansoni	voltage-gated potassium channel	0.0084	0.0403	0.0684
Entamoeba histolytica	cysteine protease, putative	0.01	0.0572	0.4054
Echinococcus granulosus	cathepsin L	0.01	0.0572	0.097
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0597	0.5897	1
Entamoeba histolytica	cysteine protease, putative	0.01	0.0572	0.4054
Brugia malayi	hypothetical protein	0.0148	0.1085	0.184
Onchocerca volvulus		0.0178	0.1411	1
Plasmodium vivax	vivapain-2	0.0178	0.1411	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.1411	0.6703
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.01	0.0572	0.3137
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.1411	0.6703
Loa Loa (eye worm)	hypothetical protein	0.0053	0.007	0.0119
Onchocerca volvulus		0.0178	0.1411	1
Onchocerca volvulus		0.0178	0.1411	1
Schistosoma mansoni	cathepsin s	0.0053	0.007	0.0119
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0178	0.1411	1
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1085	0.184
Brugia malayi	Papain family cysteine protease containing protein	0.01	0.0572	0.097
Loa Loa (eye worm)	hypothetical protein	0.0053	0.007	0.0119
Entamoeba histolytica	cysteine protease, putative	0.01	0.0572	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0178	0.1411	0.7737
Echinococcus multilocularis	cathepsin b	0.0597	0.5897	0.5897
Onchocerca volvulus		0.0178	0.1411	1
Onchocerca volvulus		0.0058	0.0123	0.0871
Schistosoma mansoni	voltage-gated potassium channel	0.0084	0.0403	0.0684
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0178	0.1411	0.2393
Onchocerca volvulus	Cathepsin L homolog	0.0178	0.1411	1
Entamoeba histolytica	cysteine protease, putative	0.01	0.0572	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.0178	0.1411	0.2393
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.01	0.0572	0.097
Brugia malayi	cathepsin F-like cysteine proteinase	0.0053	0.007	0.0119
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0178	0.1411	0.2393
Schistosoma mansoni	cathepsin F (C01 family)	0.0178	0.1411	0.2393
Brugia malayi	Cathepsin L-like precursor	0.0178	0.1411	0.2393
Plasmodium vivax	unspecified product	0.0053	0.007	0.0499
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0217	0.1824	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0178	0.1411	0.7737
Entamoeba histolytica	cysteine protease, putative	0.01	0.0572	0.4054
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0077	0.0327	0.0554
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0072	0.0272	0.1494
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0178	0.1411	0.7737
Onchocerca volvulus		0.0178	0.1411	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.007	0.0119
Trypanosoma cruzi	cruzipain precursor, putative	0.0178	0.1411	0.2393
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0077	0.0327	0.0327
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0217	0.1824	0.3093
Onchocerca volvulus		0.0125	0.0839	0.5946
Plasmodium vivax	vivapain-1	0.01	0.0572	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0178	0.1411	0.2393
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0178	0.1411	0.7737
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0125	0.0839	0.1423
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0178	0.1411	1
Echinococcus granulosus	cathepsin l1	0.0125	0.0839	0.1423
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.01	0.0572	0.097
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0125	0.0839	0.46
Schistosoma mansoni	hypothetical protein	0.0058	0.0123	0.0208
Trypanosoma cruzi	cysteine peptidase, putative	0.0178	0.1411	0.2393
Trypanosoma cruzi	cysteine peptidase, putative	0.0178	0.1411	0.2393
Toxoplasma gondii	cathepsin CPL	0.0178	0.1411	0.7737
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0125	0.0839	0.1423
Entamoeba histolytica	cysteine protease, putative	0.0178	0.1411	1
Echinococcus multilocularis	cysteine protease	0.0178	0.1411	0.1411
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0178	0.1411	0.7737
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0178	0.1411	0.7737
Entamoeba histolytica	cysteine protease, putative	0.01	0.0572	0.4054
Echinococcus multilocularis	cysteine protease	0.0178	0.1411	0.1411
Onchocerca volvulus	Huntingtin homolog	0.0148	0.1085	0.7688
Entamoeba histolytica	cysteine protease, putative	0.01	0.0572	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.01	0.0572	0.4054
Loa Loa (eye worm)	cysteine protease	0.0178	0.1411	0.2393
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0178	0.1411	0.7737
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0072	0.0272	0.1494
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.1411	0.6703
Entamoeba histolytica	cysteine protease, putative	0.01	0.0572	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0178	0.1411	0.7737
Loa Loa (eye worm)	cathepsin B	0.0217	0.1824	0.3093
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0217	0.1824	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0178	0.1411	0.7737
Entamoeba histolytica	cysteine protease, putative	0.01	0.0572	0.4054
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0597	0.5897	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0217	0.1824	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0053	0.007	0.0119
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.01	0.0572	0.097
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1085	0.184
Onchocerca volvulus	Huntingtin homolog	0.0148	0.1085	0.7688
Brugia malayi	hypothetical protein	0.0286	0.2561	0.4342
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0178	0.1411	0.7737
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0178	0.1411	0.7737
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0178	0.1411	0.7737
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0178	0.1411	0.7737
Entamoeba histolytica	cysteine proteinase, putative	0.01	0.0572	0.4054
Onchocerca volvulus	Cathepsin L homolog	0.0178	0.1411	1
Toxoplasma gondii	cathepsin B	0.0217	0.1824	1
Echinococcus multilocularis	cathepsin L	0.01	0.0572	0.0572
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0178	0.1411	0.7737
Echinococcus multilocularis	cathepsin L cysteine protease	0.0178	0.1411	0.1411
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.1411	0.6703
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0217	0.1824	0.3093
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0077	0.0327	0.0554
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.2561	0.2561
Echinococcus granulosus	cathepsin b	0.0597	0.5897	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.1411	0.6703
Trypanosoma cruzi	cysteine peptidase, putative	0.0178	0.1411	0.2393
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0178	0.1411	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.1411	0.6703
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0839	0.1423
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0178	0.1411	0.2393
Entamoeba histolytica	cysteine protease, putative	0.01	0.0572	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0178	0.1411	0.2393
Onchocerca volvulus		0.0178	0.1411	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0178	0.1411	0.2393
Brugia malayi	Cathepsin L-like precursor	0.0178	0.1411	0.2393
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0125	0.0839	0.46
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0178	0.1411	0.7737
Trypanosoma cruzi	cysteine protease, putative	0.01	0.0572	0.097
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0178	0.1411	0.7737
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0077	0.0327	0.0554
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0178	0.1411	0.7737
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.1411	0.6703
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0597	0.5897	1
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.2561	0.4342
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0178	0.1411	0.7737
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0178	0.1411	0.7737
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0123	0.0208
Brugia malayi	Papain family cysteine protease containing protein	0.01	0.0572	0.097
Entamoeba histolytica	cysteine protease, putative	0.01	0.0572	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.01	0.0572	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0178	0.1411	1
Trypanosoma cruzi	cysteine proteinase, putative	0.01	0.0572	0.097
Schistosoma mansoni	cathepsin F (C01 family)	0.0125	0.0839	0.1423
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0178	0.1411	0.6703
Echinococcus granulosus	cathepsin L cysteine protease	0.01	0.0572	0.097
Plasmodium vivax	vivapain-2	0.0178	0.1411	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0053	0.007	0.0119
Echinococcus multilocularis	cathepsin L cysteine protease	0.0178	0.1411	0.1411
Trypanosoma cruzi	cysteine proteinase, putative	0.01	0.0572	0.097
Schistosoma mansoni	cathepsin F (C01 family)	0.0178	0.1411	0.2393
Entamoeba histolytica	cysteine proteinase 2	0.01	0.0572	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0178	0.1411	0.2393
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0178	0.1411	0.1411
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0178	0.1411	0.7737
Entamoeba histolytica	cysteine proteinase, putative	0.0125	0.0839	0.5946
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0053	0.007	0.0119
Trypanosoma cruzi	cysteine peptidase, putative	0.01	0.0572	0.097
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1411	0.2393
Echinococcus granulosus	cathepsin l1	0.0178	0.1411	0.2393
Entamoeba histolytica	cysteine proteinase, putative	0.01	0.0572	0.4054

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.5623 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1.0418 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)	1.0418 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)	10.3225 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.99 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]	ChEMBL.	No reference
Potency (functional)	30.1313 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	= 39.8107 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 (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	84.9214 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1525636

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1394634