TDR Targets

Basic information

Technical information

TDR Targets ID: 1438037
Name: [3-cyclopropyl-2-(1,3-dihydroxypropan-2-yl)-7 -methyl-6,8-dioxoisoquinolin-7-yl] methyl but anedioate
MW: 419.425 | Formula: C21H25NO8
H donors: 2 H acceptors: 6 LogP: -0.51 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)CCC(=O)OC1(C)C(=O)C=c2c(C1=O)cn(c(c2)C1CC1)C(CO)CO
InChi: 1S/C21H25NO8/c1-21(30-19(27)6-5-18(26)29-2)17(25)8-13-7-16(12-3-4-12)22(14(10-23)11-24)9-15(13)20(21)28/h7-9,12,14,23-24H,3-6,10-11H2,1-2H3
InChiKey: YUFCKUPUCWNKES-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

[3-cyclopropyl-2-[2-hydroxy-1-(hydroxymethyl)ethyl]-7-methyl-6,8-dioxo-7-isoquinolyl] methyl butanedioate
butanedioic acid [3-cyclopropyl-2-[2-hydroxy-1-(hydroxymethyl)ethyl]-7-methyl-6,8-dioxo-7-isoquinolyl] ester methyl ester
succinic acid [3-cyclopropyl-2-(2-hydroxy-1-methylol-ethyl)-6,8-diketo-7-methyl-7-isoquinolyl] ester methyl ester
[3-cyclopropyl-2-(1,3-dihydroxypropan-2-yl)-7-methyl-6,8-dioxo-isoquinolin-7-yl] methyl butanedioate
NCGC00162820-01
CMLD003502
MLS000438593
SMR000452645

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Treponema pallidum	fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Giardia lamblia	Fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
Mycobacterium ulcerans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	26.9 %
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.5 %
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.8 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0359	0.0899	0.2189
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0195	0.0056	0.5
Echinococcus multilocularis	serine protein kinase ATM	0.0359	0.0899	0.0848
Trichomonas vaginalis	PIKK family atypical protein kinase	0.071	0.2705	0.6877
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.0869	0.2854
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0748	0.2905	0.7396
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.071	0.2706	0.6879
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0318	0.0691	0.2228
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0869	0.2111
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0359	0.0899	0.0899
Trichomonas vaginalis	PIKK family atypical protein kinase	0.071	0.2705	0.6877
Trichomonas vaginalis	PIKK family atypical protein kinase	0.071	0.2705	0.6877
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0359	0.0899	0.0848
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0436	0.1298	0.3224
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0748	0.2905	0.7396
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0869	0.2111
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0748	0.2905	0.7396
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0225	0.0209	0.0397
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0446	0.1349	0.3355
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0748	0.2905	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0318	0.0691	0.0691
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0436	0.1298	0.3224
Entamoeba histolytica	protein kinase rad3, putative	0.0359	0.0899	0.296
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0212	0.0142	0.0223
Giardia lamblia	Fructose-bisphosphate aldolase	0.0353	0.0869	0.1944
Trichomonas vaginalis	PIKK family atypical protein kinase	0.07	0.2655	0.6747
Toxoplasma gondii	target of rapamycin (TOR), putative	0.07	0.2655	1
Loa Loa (eye worm)	hypothetical protein	0.0359	0.0899	0.185
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0748	0.2905	0.7396
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0507	0.1664	0.1617
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.2127	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0661	0.2456	0.623
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0485	0.1549	0.3876
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.068	0.2551	0.8759
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.072	0.2759	0.2759
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0661	0.2456	0.623
Trichomonas vaginalis	PIKK family atypical protein kinase	0.068	0.2551	0.6478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.07	0.2655	0.6747
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0318	0.0691	0.2228
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0748	0.2905	0.2865
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0318	0.0691	0.0638
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0507	0.1664	0.1617
Loa Loa (eye worm)	hypothetical protein	0.0321	0.0704	0.1449
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0869	0.2111
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0622	0.2256	0.5711
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.2127	1	1
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0264	0.0409	0.0355
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.2127	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0671	0.2506	0.6361
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0318	0.0691	0.0638
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.1252	0.5497	0.5472
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0532	0.179	0.1744
Toxoplasma gondii	FATC domain-containing protein	0.0359	0.0899	0.3245
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.072	0.2759	0.2759
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0359	0.0899	0.0848
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0622	0.2256	0.5711
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0869	0.2111
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0661	0.2455	0.6228
Trichomonas vaginalis	PIKK family atypical protein kinase	0.071	0.2705	0.6877
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0622	0.2256	0.5711
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0195	0.0056	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0485	0.1548	0.3874
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0661	0.2456	0.623
Loa Loa (eye worm)	hypothetical protein	0.0398	0.11	0.2262
Trichomonas vaginalis	PIKK family atypical protein kinase	0.071	0.2705	0.6877
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0748	0.2905	0.2865
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0318	0.0691	0.1648
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0586	0.2068	0.7064
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0531	0.1786	0.449
Trichomonas vaginalis	conserved hypothetical protein	0.0225	0.0209	0.0397
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.2127	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0318	0.0691	0.1648
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0359	0.0899	0.0848
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0748	0.2905	0.2865
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.071	0.2706	0.6879
Giardia lamblia	GTOR	0.0748	0.2905	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0225	0.0209	0.0209
Trichomonas vaginalis	PIKK family atypical protein kinase	0.07	0.2655	0.6747
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0869	0.2111
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0869	0.2111
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0671	0.2506	0.6361
Loa Loa (eye worm)	hypothetical protein	0.0264	0.0409	0.0841
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.1252	0.5497	0.5472
Brugia malayi	FAT domain containing protein	0.0264	0.0409	0.0355
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0195	0.0056	0.0056
Loa Loa (eye worm)	phosphatidylinositol 3	0.0748	0.2905	0.5975
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.1252	0.5497	0.5472
Trichomonas vaginalis	PIKK family atypical protein kinase	0.07	0.2655	0.6747
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0748	0.2905	0.7396
Trypanosoma cruzi	target of rapamycin kinase 3	0.071	0.2706	0.2706
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0359	0.0899	0.0848
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0622	0.2256	0.5711
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0437	0.13	0.3228
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0661	0.2455	0.6228
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0507	0.1664	0.1617
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0748	0.2905	0.2905
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0408	0.1151	0.3059
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0195	0.0056	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0225	0.0209	0.0429
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0359	0.0899	0.0848
Loa Loa (eye worm)	hypothetical protein	0.0507	0.1664	0.3423
Loa Loa (eye worm)	hypothetical protein	0.0321	0.0704	0.1449
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0359	0.0899	0.0899
Treponema pallidum	fructose-bisphosphate aldolase	0.0353	0.0869	0.5
Echinococcus granulosus	serine protein kinase ATM	0.0359	0.0899	0.0848
Trichomonas vaginalis	conserved hypothetical protein	0.0264	0.0409	0.0917
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0661	0.2456	0.623
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0943	0.3908	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0318	0.0691	0.1648
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.2127	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0869	0.2111
Trichomonas vaginalis	PIKK family atypical protein kinase	0.07	0.2655	0.6747
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0661	0.2455	0.6228
Entamoeba histolytica	hypothetical protein	0.0597	0.2124	0.726
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0359	0.0899	0.2189
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0195	0.0056	0.0056
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0622	0.2256	0.5711
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0943	0.3908	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0748	0.2905	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0359	0.0899	0.2189
Entamoeba histolytica	hypothetical protein	0.0359	0.0899	0.296
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0531	0.1786	0.449
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.0869	0.2854
Loa Loa (eye worm)	hypothetical protein	0.0213	0.0147	0.0303
Trichomonas vaginalis	conserved hypothetical protein	0.0398	0.11	0.271
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0748	0.2905	0.7396
Trichomonas vaginalis	PIKK family atypical protein kinase	0.07	0.2655	0.6747
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0264	0.0409	0.0355
Schistosoma mansoni	hypothetical protein	0.0264	0.0409	0.0355
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0748	0.2905	0.7396
Trichomonas vaginalis	PIKK family atypical protein kinase	0.07	0.2655	0.6747
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.072	0.2759	0.7017
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.072	0.2759	0.9488
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.072	0.2759	0.7017
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0748	0.2905	0.2865
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0384	0.1029	0.3416
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0436	0.1298	0.3224
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.072	0.2759	0.2718
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.072	0.2759	0.7017
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0748	0.2905	0.2905
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0318	0.0691	0.1648
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0869	0.2111
Loa Loa (eye worm)	phosphatidylinositol 3	0.0943	0.3908	0.8038
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0943	0.3908	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0398	0.11	0.4017
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0622	0.2256	0.5711
Loa Loa (eye worm)	phosphatidylinositol 3	0.1129	0.4862	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0597	0.2124	0.726
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0359	0.0899	0.0848

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.2233 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	= 0.561 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	6.3096 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.1154 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)	13.1154 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 (binding)	17.7828 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 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
Potency (functional)	112.2018 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
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: CHEMBL1605896

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 1438037