TDR Targets

Basic information

Technical information

TDR Targets ID: 1194391
Name: ethyl (1S)-1-[(methoxycarbonylamino)-phenylme thyl]-2-oxocyclopentane-1-carboxylate
MW: 319.352 | Formula: C17H21NO5
H donors: 1 H acceptors: 3 LogP: 2.5 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)[C@@]1(CCCC1=O)C(c1ccccc1)NC(=O)OC
InChi: 1S/C17H21NO5/c1-3-23-15(20)17(11-7-10-13(17)19)14(18-16(21)22-2)12-8-5-4-6-9-12/h4-6,8-9,14H,3,7,10-11H2,1-2H3,(H,18,21)/t14?,17-/m1/s1
InChiKey: CAZFEKLDBIFYMD-FBMWCMRBSA-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

ethyl (1S)-1-[(methoxycarbonylamino)-phenyl-methyl]-2-oxo-cyclopentane-1-carboxylate
(1S)-1-[(methoxycarbonylamino)-phenylmethyl]-2-oxo-1-cyclopentanecarboxylic acid ethyl ester
(1S)-1-[(carbomethoxyamino)-phenyl-methyl]-2-keto-cyclopentane-1-carboxylic acid ethyl ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 19	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Brugia malayi	Cytochrome P450 family protein	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
Leishmania major	cytochrome p450-like protein	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
Leishmania mexicana	cytochrome p450-like protein	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	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 556	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
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
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei	cytochrome P450, putative	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
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
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
Trypanosoma congolense	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
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0469	0.0551
Brugia malayi	Latrophilin receptor protein 2	0.011	0.2592	0.2563
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0185	0.4811	0.525
Echinococcus multilocularis	lamin dm0	0.0081	0.1727	0.1884
Schistosoma mansoni	hypothetical protein	0.0123	0.2981	0.3334
Giardia lamblia	GTOR	0.0185	0.4811	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.1155	0.1615
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0351	0.0313
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0027	0.0115	0.0125
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0035	0.0351	0.0313
Schistosoma mansoni	lamin	0.0081	0.1727	0.1931
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.041	0.0447
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0351	0.0366
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0224	0.0244
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0348	0.9681	0.968
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0158	0.4007	0.604
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0111	0.2629	0.2759
Echinococcus granulosus	tumor protein p63	0.0331	0.9164	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.013	0.3173	0.4756
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0394	0.0434
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0232	0.6237	1
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0394	0.0196
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0323	0.8942	0.5
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0212	0.5624	0.6118
Schistosoma mansoni	Smad4	0.0024	0.0039	0.0043
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0061	0.1137	0.1241
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0137	0.3401	0.5101
Echinococcus granulosus	thioredoxin glutathione reductase	0.0051	0.0834	0.091
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0185	0.4811	0.7289
Schistosoma mansoni	smad1 5 8 and	0.0024	0.0039	0.0043
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0035	0.0351	0.0392
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0357
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0185	0.4811	1
Echinococcus multilocularis	smad	0.0024	0.0039	0.0042
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0394	0.043
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0181	0.4713	0.5143
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0394	0.0441
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0117	0.2785	0.4092
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0062	0.1155	0.126
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0147	0.3685	0.5542
Brugia malayi	Pre-SET motif family protein	0.0214	0.5678	0.5661
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0061	0.1137	0.1241
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0323	0.8942	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0147	0.3685	0.5542
Toxoplasma gondii	thioredoxin reductase	0.0051	0.0834	0.07
Echinococcus granulosus	histone lysine methyltransferase setb	0.0048	0.0745	0.0813
Echinococcus multilocularis	tumor protein p63	0.0331	0.9164	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0077	0.1595	0.279
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0147	0.3685	0.5542
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0323	0.8942	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0394	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0115	0.0076
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.019	0.0207
Schistosoma mansoni	hypothetical protein	0.011	0.2592	0.2898
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0185	0.4811	1
Loa Loa (eye worm)	intermediate filament protein	0.0081	0.1727	0.1695
Brugia malayi	glutathione reductase	0.0051	0.0834	0.0798
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0117	0.2785	0.4092
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0181	0.4713	0.5143
Mycobacterium tuberculosis	Probable reductase	0.0117	0.2785	0.4092
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0224	0.025
Trypanosoma brucei	trypanothione reductase	0.0051	0.0834	0.1083
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0024	0.0039	0.0042
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.013	0.3173	0.3251
Brugia malayi	latrophilin 2 splice variant baaae	0.0238	0.64	0.6386
Brugia malayi	FAT domain containing protein	0.0027	0.0115	0.0076
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0137	0.3401	0.5101
Onchocerca volvulus		0.0153	0.3876	0.5767
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1474	0.1441
Onchocerca volvulus		0.0036	0.0394	0.027
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0087	0.1912	0.35
Loa Loa (eye worm)	hypothetical protein	0.0323	0.8942	0.8938
Echinococcus granulosus	lamin	0.0081	0.1727	0.1884
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0035	0.0351	0.0383
Trichomonas vaginalis	PIKK family atypical protein kinase	0.01	0.228	0.3361
Brugia malayi	cytoplasmic intermediate filament protein	0.0043	0.0605	0.0568
Brugia malayi	Bromodomain containing protein	0.0039	0.0482	0.0445
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0062	0.1155	0.1803
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0133	0.3276	0.3575
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0745	0.0834
Trichomonas vaginalis	esterase, putative	0.0036	0.0394	0.0434
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0024	0.0039	0.0043
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0185	0.4811	0.4791
Schistosoma mansoni	hypothetical protein	0.0181	0.4713	0.527
Brugia malayi	Intermediate filament tail domain containing protein	0.0081	0.1727	0.1695
Brugia malayi	beta-lactamase family protein	0.0036	0.0394	0.0357
Echinococcus multilocularis	Smad4	0.0024	0.0039	0.0042
Loa Loa (eye worm)	MH2 domain-containing protein	0.0359	1	1
Echinococcus granulosus	GPCR family 2	0.011	0.2592	0.2828
Onchocerca volvulus		0.0036	0.0394	0.027
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0252	0.0214
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0394	0.043
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.1155	0.1615
Trypanosoma cruzi	trypanothione reductase, putative	0.0051	0.0834	0.1083
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0111	0.2629	0.2614
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0323	0.8942	0.9758
Schistosoma mansoni	thyroid hormone receptor	0.0133	0.3276	0.3664
Echinococcus granulosus	lamin dm0	0.0081	0.1727	0.1884
Schistosoma mansoni	smad	0.0024	0.0039	0.0043
Echinococcus multilocularis	serine protein kinase ATM	0.0035	0.0351	0.0383
Schistosoma mansoni	transcription factor LCR-F1	0.0181	0.4713	0.527
Onchocerca volvulus		0.0048	0.0752	0.0835
Loa Loa (eye worm)	hypothetical protein	0.0238	0.64	0.6386
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0039	0.0476	0.052
Trichomonas vaginalis	PIKK family atypical protein kinase	0.011	0.2597	0.3853
Loa Loa (eye worm)	hypothetical protein	0.008	0.1683	0.165
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0185	0.4811	0.525
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.0786	0.1042
Entamoeba histolytica	hypothetical protein	0.0181	0.4713	0.978
Toxoplasma gondii	ABC1 family protein	0.0036	0.0394	0.0196
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.1155	0.1615
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0394	0.0357
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0035	0.0351	0.0392
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0024	0.0039	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0153	0.3876	0.3853
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0185	0.4811	0.7289
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0212	0.5624	0.6137
Trichomonas vaginalis	PIKK family atypical protein kinase	0.012	0.2881	0.4294
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0147	0.369	0.7462
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0137	0.3401	0.5101
Brugia malayi	PHD-finger family protein	0.0026	0.0072	0.0034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0137	0.3401	0.5101
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0615	0.0579
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0137	0.3401	0.5101
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0323	0.8942	1
Leishmania major	trypanothione reductase	0.0051	0.0834	0.0995
Schistosoma mansoni	intermediate filament proteins	0.0081	0.1727	0.1931
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0394	0.0098
Plasmodium vivax	glutathione reductase, putative	0.0051	0.0834	0.07
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0212	0.5624	0.895
Entamoeba histolytica	hypothetical protein	0.0181	0.4713	0.978
Schistosoma mansoni	lamin	0.0081	0.1727	0.1931
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0062	0.1155	0.126
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0137	0.3401	0.5101
Echinococcus multilocularis	GPCR, family 2	0.011	0.2592	0.2828
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0394	0.0357
Loa Loa (eye worm)	hypothetical protein	0.011	0.2592	0.2563
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0323	0.8942	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0185	0.4811	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0357
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0252	0.0214
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0394	0.0098
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0123	0.2981	0.3254
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0394	0.0434
Brugia malayi	beta-lactamase family protein	0.0036	0.0394	0.0357
Plasmodium vivax	thioredoxin reductase, putative	0.0051	0.0834	0.07
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0035	0.0351	0.0313
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0062	0.1155	0.1292
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0185	0.4811	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0099	0.2276	0.3354
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.011	0.2592	0.2828
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.011	0.2592	0.2828
Mycobacterium tuberculosis	Probable oxidoreductase	0.013	0.3173	0.4756
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0394	0.0434
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0394	0.0357
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0035	0.0351	0.0383
Onchocerca volvulus		0.0243	0.6558	1
Echinococcus granulosus	serine protein kinase ATM	0.0035	0.0351	0.0383
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0185	0.4811	0.7289
Loa Loa (eye worm)	phosphatidylinositol 3	0.0185	0.4811	0.4791
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0099	0.2276	0.3354
Loa Loa (eye worm)	phosphatidylinositol 3	0.0062	0.1155	0.1121
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0147	0.369	0.7487
Loa Loa (eye worm)	latrophilin receptor protein 2	0.011	0.2592	0.2563
Schistosoma mansoni	hypothetical protein	0.0238	0.64	0.7157
Schistosoma mansoni	hypothetical protein	0.011	0.2592	0.2898
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.1155	0.1615
Echinococcus granulosus	intermediate filament protein	0.0081	0.1727	0.1884
Brugia malayi	Pre-SET motif family protein	0.0031	0.0224	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0752	0.0717
Echinococcus multilocularis	lamin	0.0081	0.1727	0.1884
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0137	0.3401	0.3645
Mycobacterium tuberculosis	Probable dehydrogenase	0.0117	0.2785	0.4092
Brugia malayi	Probable ClpP-like protease	0.0323	0.8942	0.8938
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0557	0.052
Echinococcus granulosus	Smad4	0.0024	0.0039	0.0042
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0062	0.1155	0.1121
Trypanosoma cruzi	target of rapamycin kinase 3	0.0147	0.369	0.7487
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0185	0.4811	1
Onchocerca volvulus		0.0081	0.1727	0.2373
Brugia malayi	hypothetical protein	0.0153	0.3876	0.3853
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0099	0.2276	0.3354
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0212	0.5624	0.895
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0323	0.8942	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0745	0.071
Loa Loa (eye worm)	hypothetical protein	0.0081	0.1727	0.1695
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0109	0.2564	0.3802
Echinococcus granulosus	peptidase Clp S14 family	0.0212	0.5624	0.6137
Brugia malayi	Thioredoxin reductase	0.0051	0.0834	0.0798
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0062	0.1155	0.1803
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0752	0.0841
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0357
Loa Loa (eye worm)	hypothetical protein	0.0348	0.9681	0.968
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0147	0.3685	0.5542
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0062	0.1155	0.1722
Echinococcus granulosus	mothers against decapentaplegic 5	0.0024	0.0039	0.0042
Toxoplasma gondii	FATC domain-containing protein	0.0035	0.0351	0.0146
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0224	0.025
Schistosoma mansoni	smad1 5 8 and	0.0024	0.0039	0.0043
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0043	0.0605	0.0568
Echinococcus multilocularis	musashi	0.0081	0.1727	0.1884
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0185	0.4811	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0323	0.8942	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0109	0.2564	0.3802
Toxoplasma gondii	hypothetical protein	0.0111	0.2629	0.2759
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0185	0.4811	0.538
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0137	0.3401	0.5101
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.011	0.2592	0.2563
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0185	0.4811	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.011	0.2597	0.3853
Entamoeba histolytica	hypothetical protein	0.0181	0.4713	0.978
Entamoeba histolytica	hypothetical protein	0.0181	0.4713	0.978
Trichomonas vaginalis	PIKK family atypical protein kinase	0.01	0.228	0.3361
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0323	0.8942	1
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0323	0.8942	1
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0027	0.0115	0.0125
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.013	0.3173	0.4756
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0123	0.2981	0.3254
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0476	0.044
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0348	0.9681	0.968
Schistosoma mansoni	hypothetical protein	0.011	0.2592	0.2898
Trichomonas vaginalis	PIKK family atypical protein kinase	0.01	0.228	0.3361
Loa Loa (eye worm)	thioredoxin reductase	0.0051	0.0834	0.0798
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0117	0.2785	0.4092
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0117	0.2785	0.4092
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.041	0.0447
Onchocerca volvulus		0.0081	0.1727	0.2373
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0394	0.0441
Brugia malayi	intermediate filament protein	0.0081	0.1727	0.1695
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0432	0.0395
Schistosoma mansoni	smad1 5 8 and	0.0024	0.0039	0.0043
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0323	0.8942	0.9758
Loa Loa (eye worm)	glutathione reductase	0.0051	0.0834	0.0798
Loa Loa (eye worm)	transcription factor SMAD2	0.0359	1	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0111	0.2629	0.2214
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0124	0.3	0.4478
Trichomonas vaginalis	set domain proteins, putative	0.0243	0.6558	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0323	0.8942	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0484	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0432	0.0395
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0394	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0469	0.0433
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0081	0.1727	0.1695
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0431	0.0394
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0147	0.3685	0.5542
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0048	0.0745	0.0813
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0323	0.8942	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0323	0.8942	1
Onchocerca volvulus		0.0036	0.0394	0.027
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0351	0.0366
Brugia malayi	beta-lactamase	0.0036	0.0394	0.0357
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0745	0.0834
Trichomonas vaginalis	PIKK family atypical protein kinase	0.01	0.228	0.3361
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0062	0.1155	0.1803
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.011	0.2592	0.2828
Schistosoma mansoni	hypothetical protein	0.011	0.2592	0.2898
Trichomonas vaginalis	PIKK family atypical protein kinase	0.011	0.2597	0.3853
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0357
Brugia malayi	hypothetical protein	0.0181	0.4713	0.4692
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0062	0.1155	0.1803
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0024	0.0039	0.0042
Brugia malayi	Bromodomain containing protein	0.0077	0.1605	0.1572
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0039	0.0469	0.0282
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0351	0.0366
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0214	0.5678	0.5661
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0062	0.1155	0.1722
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0117	0.2785	0.2797
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0357
Schistosoma mansoni	bromodomain containing protein	0.0065	0.1246	0.1394
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0051	0.0834	0.0752
Schistosoma mansoni	hypothetical protein	0.0027	0.0115	0.0128
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0185	0.4811	1
Echinococcus granulosus	smad	0.0024	0.0039	0.0042
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0394	0.0098
Schistosoma mansoni	thyroid hormone receptor	0.0133	0.3276	0.3664
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0394	0.0357
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.011	0.2592	0.2828
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.1155	0.1615
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0039	0.0476	0.052
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0348	0.9681	0.968
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0051	0.0834	0.091

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (ADMET)	= 1.2589 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 2.5119 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 2.5119 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference

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: CHEMBL1358467

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1194391