TDR Targets

Basic information

Technical information

TDR Targets ID: 1262213
Name: 3-[(3,4-dichlorophenyl)carbamoyl]-4-phenylpen tanoic acid
MW: 366.238 | Formula: C18H17Cl2NO3
H donors: 2 H acceptors: 3 LogP: 4.11 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CC(C(c1ccccc1)C)C(=O)Nc1ccc(c(c1)Cl)Cl
InChi: 1S/C18H17Cl2NO3/c1-11(12-5-3-2-4-6-12)14(10-17(22)23)18(24)21-13-7-8-15(19)16(20)9-13/h2-9,11,14H,10H2,1H3,(H,21,24)(H,22,23)
InChiKey: GOONKHBSKADUIL-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-[(3,4-dichlorophenyl)carbamoyl]-4-phenyl-pentanoic acid
3-[[(3,4-dichlorophenyl)amino]-oxomethyl]-4-phenylpentanoic acid
3-[(3,4-dichlorophenyl)carbamoyl]-4-phenyl-valeric acid
BAS 00483682
MLS001205104
SMR000514313
STK027439
Oprea1_786486
Oprea1_314921
3-(3,4-Dichloro-phenylcarbamoyl)-4-phenyl-pentanoic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	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)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.1479	0.4525	0.4525
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0006	0.0006
Brugia malayi	Thioredoxin reductase	0.0046	0.0039	0.0039
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.0258	0.2461
Brugia malayi	Cathepsin L-like precursor	0.005	0.0051	0.0051
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0032	0.019
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.019	0.0489	0.0488
Brugia malayi	Pre-SET motif family protein	0.0059	0.008	0.008
Mycobacterium tuberculosis	Adenosine kinase	0.0368	0.1047	1
Brugia malayi	Pao retrotransposon peptidase family protein	0.0034	0.0001	0.0001
Entamoeba histolytica	kinase, PfkB family	0.0368	0.1047	1
Echinococcus granulosus	tumor protein p63	0.033	0.0929	0.0929
Brugia malayi	hypothetical protein	0.0034	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0144	0.0144
Schistosoma mansoni	phosphoglucomutase	0.0111	0.0243	0.0243
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.005	0.0051	0.0307
Onchocerca volvulus		0.0467	0.1357	0.1534
Trypanosoma brucei	RNA helicase, putative	0.1479	0.4525	0.4524
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.0057	1
Brugia malayi	glutathione reductase	0.0046	0.0039	0.0039
Trichomonas vaginalis	set domain proteins, putative	0.0467	0.1357	0.8094
Brugia malayi	Pao retrotransposon peptidase family protein	0.0034	0.0001	0.0001
Brugia malayi	acetyltransferase, GNAT family protein	0.0144	0.0348	0.0348
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0034	0.0001	0.0001
Mycobacterium ulcerans	glutaminase	0.0569	0.1677	1
Brugia malayi	Pao retrotransposon peptidase family protein	0.0034	0.0001	0.0001
Entamoeba histolytica	fructokinase, putative	0.0368	0.1047	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0006	0.0006
Brugia malayi	Papain family cysteine protease containing protein	0.005	0.0051	0.0051
Leishmania major	cathepsin L-like protease	0.019	0.0489	0.0459
Brugia malayi	Pao retrotransposon peptidase family protein	0.0034	0.0001	0.0001
Brugia malayi	Cathepsin L-like precursor	0.005	0.0051	0.0051
Brugia malayi	Zinc knuckle family protein	0.0034	0.0001	0.0001
Schistosoma mansoni	hypothetical protein	0.0034	0.0001	0.0001
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.0039	0.0364
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.0034	0.0001	0.0001
Leishmania major	ribonuclease H1, putative	0.0111	0.0243	0.0212
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.005	0.0051	0.0307
Trypanosoma cruzi	adenosine kinase, putative	0.0368	0.1047	0.1047
Echinococcus granulosus	ribonuclease H1	0.0111	0.0243	0.0243
Trichomonas vaginalis	ribokinase, putative	0.0368	0.1047	0.6244
Brugia malayi	Pao retrotransposon peptidase family protein	0.0034	0.0001	0.0001
Schistosoma mansoni	phosphoglucomutase	0.0111	0.0243	0.0243
Brugia malayi	hypothetical protein	0.0052	0.0057	0.0057
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0045	0.0035	0.067
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.019	0.0489	0.0488
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0173	0.0437	0.0437
Entamoeba histolytica	hypothetical protein	0.0035	0.0006	0.0059
Onchocerca volvulus		0.005	0.0051	0.0058
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.0057	1
Trypanosoma cruzi	adenosine kinase, putative	0.0368	0.1047	0.1047
Trypanosoma brucei	ribokinase, putative	0.0368	0.1047	0.1047
Brugia malayi	reverse transcriptase	0.0034	0.0001	0.0001
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0032	0.0031
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.005	0.0051	0.0307
Brugia malayi	reverse transcriptase	0.0034	0.0001	0.0001
Schistosoma mansoni	ribokinase	0.0368	0.1047	0.1047
Plasmodium vivax	vivapain-2	0.005	0.0051	0.4082
Brugia malayi	RNase H family protein	0.0111	0.0243	0.0243
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0079	0.0144	0.0144
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.005	0.0051	0.0307
Entamoeba histolytica	cysteine protease, putative	0.005	0.0051	0.0492
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0163	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0061	0.0061
Loa Loa (eye worm)	hypothetical protein	0.323	1	1
Entamoeba histolytica	ribokinase, putative	0.0368	0.1047	1
Trypanosoma cruzi	ribonuclease H1, putative	0.0111	0.0243	0.0242
Leishmania major	adenosine kinase-like protein	0.0368	0.1047	0.1019
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.005	0.0051	0.0307
Schistosoma mansoni	serine/threonine protein kinase	0.0034	0.0001	0.0001
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0032	0.0031
Trichomonas vaginalis	ribonuclease H1, putative	0.0111	0.0243	0.1449
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.005	0.0051	0.8591
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0039	0.0039
Brugia malayi	hypothetical protein	0.0368	0.1047	0.1047
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0045	0.0035	0.0209
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.019	0.0489	0.0488
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0145	0.0348	0.0347
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0032	0.0298
Mycobacterium tuberculosis	Probable reductase	0.0104	0.0222	0.2113
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.0258	0.2461
Echinococcus granulosus	KRAB A domain containing protein	0.0034	0.0001	0.0001
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0144	0.0348	0.0347
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.019	0.0489	0.0488
Trypanosoma brucei	adenosine kinase, putative	0.323	1	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.0258	0.2229
Trichomonas vaginalis	conserved hypothetical protein	0.0368	0.1047	0.6244
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0079	0.0144	0.0144
Onchocerca volvulus	Cathepsin L homolog	0.005	0.0051	0.0058
Mycobacterium leprae	Probable adenosine kinase adk	0.0368	0.1047	1
Trypanosoma cruzi	ribonuclease H1, putative	0.0111	0.0243	0.0242
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.005	0.0051	0.0307
Onchocerca volvulus		0.005	0.0051	0.0058
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0057	0.0073	0.0073
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.005	0.0051	0.0051
Trypanosoma brucei	ribokinase, putative	0.0368	0.1047	0.1047
Brugia malayi	RNase H family protein	0.0111	0.0243	0.0243
Loa Loa (eye worm)	glutaminase 2	0.0569	0.1677	0.1677
Trypanosoma brucei	ribonuclease H1	0.0111	0.0243	0.0242
Trichomonas vaginalis	ribokinase, putative	0.0368	0.1047	0.6244
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0057	0.0057
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0032	0.019
Trypanosoma cruzi	adenosine kinase, putative	0.323	1	1
Trichomonas vaginalis	NeSL-1_NeSL reverse transcriptases, putative	0.0034	0.0001	0.0004
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.005	0.0051	0.0307
Leishmania major	hypothetical protein, conserved	0.0052	0.0057	0.0026
Onchocerca volvulus	Ribokinase homolog	0.0368	0.1047	0.1183
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0059	0.008	0.008
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.0057	0.0057
Leishmania major	cathepsin L-like protease	0.005	0.0051	0.002
Echinococcus granulosus	histone lysine methyltransferase setb	0.0079	0.0144	0.0144
Schistosoma mansoni	bromodomain containing protein	0.008	0.0146	0.0146
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.005	0.0051	0.0307
Mycobacterium tuberculosis	Probable dehydrogenase	0.0104	0.0222	0.2113
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0032	0.0032
Toxoplasma gondii	kinase, pfkB family protein	0.323	1	1
Onchocerca volvulus		0.005	0.0051	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0032	0.0032
Echinococcus granulosus	pseudouridine metabolizing bifunctional protein	0.0368	0.1047	0.1047
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0032	0.0298
Schistosoma mansoni	adenosine kinase	0.323	1	1
Echinococcus multilocularis	cysteine protease	0.005	0.0051	0.0051
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0032	0.0032
Trypanosoma cruzi	adenosine kinase, putative	0.323	1	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0041	0.0041
Onchocerca volvulus		0.0043	0.0032	0.0036
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0032	0.0032
Onchocerca volvulus		0.0048	0.0047	0.0053
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.005	0.0051	0.0307
Echinococcus multilocularis	ribokinase	0.0368	0.1047	0.1047
Brugia malayi	Bromodomain containing protein	0.005	0.0051	0.0051
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0104	0.0222	0.2113
Brugia malayi	Cathepsin L-like precursor	0.005	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0032	0.0032
Schistosoma mansoni	phosphoglucomutase	0.0111	0.0243	0.0243
Onchocerca volvulus	Cathepsin F homolog	0.005	0.0051	0.0058
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0032	0.019
Leishmania major	cathepsin L-like protease	0.005	0.0051	0.002
Brugia malayi	Pao retrotransposon peptidase family protein	0.0034	0.0001	0.0001
Brugia malayi	Pao retrotransposon peptidase family protein	0.0034	0.0001	0.0001
Trichomonas vaginalis	glutaminase, putative	0.0569	0.1677	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0006	0.0059
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0032	0.0032
Echinococcus multilocularis	cathepsin L cysteine protease	0.005	0.0051	0.0051
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0032	0.0298
Onchocerca volvulus		0.0043	0.0032	0.0036
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0039	0.143
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.005	0.0051	0.0307
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.005	0.0051	0.0051
Loa Loa (eye worm)	fibroinase	0.005	0.0051	0.0051
Loa Loa (eye worm)	cysteine protease	0.005	0.0051	0.0051
Onchocerca volvulus		0.005	0.0051	0.0058
Plasmodium falciparum	cysteine proteinase falcipain 3	0.005	0.0051	0.8591
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0032	0.0298
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0032	0.0031
Brugia malayi	Pao retrotransposon peptidase family protein	0.0034	0.0001	0.0001
Onchocerca volvulus	Putative pyridoxal kinase	0.0368	0.1047	0.1183
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.005	0.0051	0.0307
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0059	0.008	0.008
Leishmania major	tagatose-6-phosphate kinase-like protein	0.0368	0.1047	0.1019
Mycobacterium tuberculosis	Ribokinase RbsK	0.0368	0.1047	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0076	0.0132	0.0132
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0032	0.0032
Echinococcus multilocularis	cysteine protease	0.005	0.0051	0.0051
Brugia malayi	beta-lactamase family protein	0.0043	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0032	0.0032
Onchocerca volvulus		0.005	0.0051	0.0058
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0032	0.0298
Brugia malayi	Cathepsin L-like precursor	0.005	0.0051	0.0051
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0034	0.0001	0.0001
Loa Loa (eye worm)	ctsf protein	0.005	0.0051	0.0051
Loa Loa (eye worm)	glutaminase	0.0569	0.1677	0.1677
Brugia malayi	hypothetical protein	0.0034	0.0001	0.0001
Brugia malayi	hypothetical protein	0.0034	0.0001	0.0001
Trichomonas vaginalis	ribokinase, putative	0.0368	0.1047	0.6244
Onchocerca volvulus		0.005	0.0051	0.0058
Echinococcus granulosus	microtubule associated protein 2	0.0692	0.206	0.206
Brugia malayi	Bromodomain containing protein	0.0094	0.019	0.019
Leishmania major	cysteine peptidase A (CPA)	0.005	0.0051	0.002
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0032	0.0031
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0039	0.0039
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.005	0.0051	0.8591
Brugia malayi	Cathepsin L-like precursor	0.005	0.0051	0.0051
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.0765	0.7303
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.019	0.0489	0.0488
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0111	0.0243	0.5
Leishmania major	adenosine kinase, putative	0.323	1	1
Brugia malayi	beta-lactamase	0.0043	0.0032	0.0032
Trypanosoma cruzi	cysteine peptidase, putative	0.005	0.0051	0.0051
Trypanosoma cruzi	ribokinase, putative	0.0368	0.1047	0.1047
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.005	0.0051	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0068	0.0068
Echinococcus multilocularis	pseudouridine metabolizing bifunctional protein	0.0368	0.1047	0.1047
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0032	0.0298
Onchocerca volvulus		0.0034	0.0001	0.0001
Toxoplasma gondii	LsmAD domain-containing protein	0.0052	0.0057	0.0026
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0032	0.019
Loa Loa (eye worm)	hypothetical protein	0.0368	0.1047	0.1047
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0059	0.008	0.0079
Echinococcus granulosus	cathepsin L cysteine proteinase	0.005	0.0051	0.0051
Trypanosoma brucei	trypanothione reductase	0.0046	0.0039	0.0038
Brugia malayi	Zinc knuckle family protein	0.0034	0.0001	0.0001
Leishmania major	tagatose-6-phosphate kinase-like protein	0.0368	0.1047	0.1019
Giardia lamblia	Ribokinase	0.0368	0.1047	1
Schistosoma mansoni	cathepsin F (C01 family)	0.005	0.0051	0.0051
Toxoplasma gondii	ribonuclease HI protein	0.0111	0.0243	0.0212
Leishmania major	cathepsin L-like protease	0.019	0.0489	0.0459
Brugia malayi	hypothetical protein	0.0035	0.0006	0.0006
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.005	0.0051	0.0307
Plasmodium vivax	ataxin-2 like protein, putative	0.0052	0.0057	0.5315
Brugia malayi	Pao retrotransposon peptidase family protein	0.0034	0.0001	0.0001
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.005	0.0051	0.0307
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0104	0.0222	0.1871
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0039	0.143
Plasmodium vivax	SET domain protein, putative	0.0059	0.008	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.041	0.118	0.118
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.019	0.0489	0.0488
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0045	0.0035	0.0003
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0032	0.0032
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0032	0.0298
Mycobacterium ulcerans	fructokinase, PfkB	0.0368	0.1047	0.6172
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.019	0.0489	0.0488
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0039	0.0038
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.005	0.0051	0.0307
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0144	0.0348	0.0348
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.005	0.0051	0.0307
Leishmania major	putative PfkB family sugar kinase	0.0368	0.1047	0.1019
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0104	0.0222	0.2113
Schistosoma mansoni	protein kinase	0.0034	0.0001	0.0001
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.005	0.0051	0.0307
Onchocerca volvulus		0.2862	0.8849	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0079	0.0144	0.0144
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0045	0.0035	0.0003
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.005	0.0051	0.0051
Onchocerca volvulus		0.005	0.0051	0.0058
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0006	0.0006
Echinococcus multilocularis	cathepsin L cysteine protease	0.005	0.0051	0.0051
Brugia malayi	Ribokinase	0.0368	0.1047	0.1047
Schistosoma mansoni	hypothetical protein	0.0034	0.0001	0.0001
Entamoeba histolytica	Hypothetical protein T24C12.3, putative	0.0368	0.1047	1
Echinococcus multilocularis	tumor protein p63	0.033	0.0929	0.0928
Leishmania major	cathepsin L-like protease	0.005	0.0051	0.002
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0104	0.0222	0.2113
Toxoplasma gondii	cathepsin CPL	0.005	0.0051	0.002
Trypanosoma cruzi	cruzipain precursor, putative	0.019	0.0489	0.0488
Onchocerca volvulus		0.0059	0.008	0.009
Leishmania major	cathepsin L-like protease	0.005	0.0051	0.002
Onchocerca volvulus		0.0034	0.0001	0.0001
Echinococcus granulosus	ribokinase	0.0368	0.1047	0.1047
Brugia malayi	beta-lactamase family protein	0.0043	0.0032	0.0032
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0032	0.0298
Brugia malayi	PHD-finger family protein	0.0034	0.0001	0.0001
Giardia lamblia	Ribonuclease H	0.0111	0.0243	0.2316
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0047	0.0047
Echinococcus multilocularis	ribonuclease H1	0.0111	0.0243	0.0242
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.005	0.0051	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0032	0.0032
Trypanosoma cruzi	cysteine peptidase, putative	0.019	0.0489	0.0488
Leishmania major	cathepsin L-like protease	0.019	0.0489	0.0459
Trichomonas vaginalis	esterase, putative	0.0043	0.0032	0.019
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0138	0.0326	0.0326
Entamoeba histolytica	hypothetical protein	0.0035	0.0006	0.0059
Onchocerca volvulus	Ribonuclease H1 homolog	0.0111	0.0243	0.0275
Onchocerca volvulus		0.0368	0.1047	0.1183
Schistosoma mansoni	hypothetical protein	0.0035	0.0006	0.0006
Echinococcus granulosus	adenosine kinase	0.323	1	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0052	0.0057	0.0057
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0039	0.0038
Brugia malayi	reverse transcriptase	0.0034	0.0001	0.0001
Echinococcus granulosus	RNA directed DNA polymerase	0.0034	0.0001	0.0001
Plasmodium vivax	vivapain-2	0.005	0.0051	0.4082
Leishmania major	ribokinase, putative	0.0368	0.1047	0.1019
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.019	0.0489	0.0488
Trichomonas vaginalis	reverse transcriptases, putative	0.0034	0.0001	0.0004
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.019	0.0489	0.0488
Leishmania major	trypanothione reductase	0.0046	0.0039	0.0007
Echinococcus multilocularis	microtubule associated protein 2	0.0692	0.206	0.2059
Brugia malayi	Pao retrotransposon peptidase family protein	0.0034	0.0001	0.0001
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0039	0.5563
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.0015	0.014
Trichomonas vaginalis	reverse transcriptases, putative	0.0034	0.0001	0.0004
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0045	0.0035	0.0209
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.019	0.0489	0.0488
Brugia malayi	Cathepsin L-like precursor	0.005	0.0051	0.0051
Plasmodium falciparum	glutathione reductase	0.0046	0.0039	0.5563
Trypanosoma brucei	adenosine kinase, putative	0.323	1	1
Schistosoma mansoni	glutaminase	0.0569	0.1677	0.1677
Entamoeba histolytica	hypothetical protein	0.0035	0.0006	0.0059
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.0015	0.0146
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0032	0.0298
Mycobacterium tuberculosis	6-phosphofructokinase PfkB (phosphohexokinase) (phosphofructokinase)	0.0368	0.1047	1
Trypanosoma brucei	hypothetical protein, conserved	0.0145	0.0348	0.0347
Echinococcus granulosus	cathepsin l1	0.005	0.0051	0.0051
Brugia malayi	Pao retrotransposon peptidase family protein	0.0034	0.0001	0.0001
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0104	0.0222	0.2113
Trichomonas vaginalis	reverse transcriptase [C. elegans], putative	0.0034	0.0001	0.0004
Treponema pallidum	ribonuclease H (rnhA)	0.0111	0.0243	0.5
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0047	0.0047
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.005	0.0051	0.0051
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0076	0.0132	0.0132
Brugia malayi	hypothetical protein	0.0034	0.0001	0.0001
Echinococcus multilocularis	adenosine kinase	0.323	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.0057	0.0057
Mycobacterium ulcerans	carbohydrate kinase CbhK	0.0368	0.1047	0.6172
Loa Loa (eye worm)	acetyltransferase	0.0144	0.0348	0.0348
Trypanosoma brucei	ingi protein (ORF1)	0.0145	0.0348	0.0347
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0032	0.019
Loa Loa (eye worm)	hypothetical protein	0.0368	0.1047	0.1047
Schistosoma mansoni	microtubule-associated protein tau	0.0692	0.206	0.206
Leishmania major	cathepsin L-like protease	0.005	0.0051	0.002
Brugia malayi	RNase H family protein	0.0111	0.0243	0.0243
Echinococcus granulosus	cathepsin l cysteine peptidase	0.005	0.0051	0.0051
Brugia malayi	Pre-SET motif family protein	0.041	0.118	0.118
Trypanosoma cruzi	major cysteine proteinase, putative	0.0149	0.0362	0.0361
Loa Loa (eye worm)	hypothetical protein	0.005	0.0051	0.0051
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.005	0.0051	0.0307
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0032	0.0031
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0039	0.0007
Trypanosoma cruzi	cysteine peptidase, putative	0.019	0.0489	0.0488
Brugia malayi	glutaminase DH11.1	0.0569	0.1677	0.1677
Schistosoma mansoni	cathepsin F (C01 family)	0.005	0.0051	0.0051
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.005	0.0051	0.0307
Schistosoma mansoni	scy1(yeast) protein kinase-like	0.0034	0.0001	0.0001
Leishmania major	adenosine kinase-like protein	0.0368	0.1047	0.1019
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0034	0.0001	0.0001
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0039	0.0039
Entamoeba histolytica	tagatose-6-phosphate kinase, putative	0.0368	0.1047	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.005	0.0051	0.0307
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0045	0.0035	0.0035
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.005	0.0051	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0032	0.0032
Brugia malayi	Pao retrotransposon peptidase family protein	0.0034	0.0001	0.0001
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0059	0.008	0.0048
Trypanosoma cruzi	cysteine peptidase, putative	0.019	0.0489	0.0488
Entamoeba histolytica	cysteine proteinase, putative	0.005	0.0051	0.0492
Trypanosoma brucei	unspecified product	0.0145	0.0348	0.0347
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.005	0.0051	0.0307
Entamoeba histolytica	cysteine proteinase, putative	0.005	0.0051	0.0492
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.0258	0.2461
Toxoplasma gondii	kinase, pfkB family protein	0.0368	0.1047	0.1019
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0034	0.0001	0.0001
Onchocerca volvulus		0.0043	0.0032	0.0036
Trypanosoma brucei	ingi protein (ORF1)	0.0145	0.0348	0.0347
Brugia malayi	Pao retrotransposon peptidase family protein	0.0034	0.0001	0.0001
Onchocerca volvulus	Cathepsin L homolog	0.005	0.0051	0.0058
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.019	0.0489	0.0488
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0032	0.0298
Schistosoma mansoni	adenosine kinase	0.323	1	1
Brugia malayi	Pao retrotransposon peptidase family protein	0.0034	0.0001	0.0001
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.005	0.0051	0.0307
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.005	0.0051	0.0307

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.2589 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	= 2.8184 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	6.5733 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)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	89.1251 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: CHEMBL1363315

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1262213