TDR Targets

Basic information

Technical information

TDR Targets ID: 1134345
Name: N-(3-imidazol-1-ylpropyl)-2-(2-oxochromen-7-y l)oxypropanamide
MW: 341.361 | Formula: C18H19N3O4
H donors: 1 H acceptors: 3 LogP: 1.71 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(Oc1ccc2c(c1)oc(=O)cc2)C)NCCCn1cncc1
InChi: 1S/C18H19N3O4/c1-13(18(23)20-7-2-9-21-10-8-19-12-21)24-15-5-3-14-4-6-17(22)25-16(14)11-15/h3-6,8,10-13H,2,7,9H2,1H3,(H,20,23)
InChiKey: ADHAYQLVSGDRJT-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

N-(3-imidazol-1-ylpropyl)-2-(2-oxochromen-7-yl)oxy-propanamide
N-[3-(1-imidazolyl)propyl]-2-[(2-oxo-7-chromenyl)oxy]propanamide
N-(3-imidazol-1-ylpropyl)-2-(2-ketochromen-7-yl)oxy-propionamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0076	0.0076
Schistosoma mansoni	pyruvate kinase	0.0065	0.1502	0.1788
Echinococcus multilocularis	geminin	0.0165	0.4607	0.4607
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.007	0.1661	0.1661
Echinococcus granulosus	pyruvate kinase	0.0065	0.1502	0.1502
Leishmania major	pyruvate kinase	0.0065	0.1502	1
Echinococcus granulosus	tar DNA binding protein	0.0125	0.3369	0.3369
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0604	0.4021
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0604	0.0544
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.3369	0.401
Trypanosoma brucei	PAB1-binding protein , putative	0.0052	0.1107	0.7229
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0604	0.0906
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0863	0.0945
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0604	0.0906
Mycobacterium ulcerans	pyruvate kinase	0.0065	0.1502	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0604	0.0635
Onchocerca volvulus	Pyruvate kinase homolog	0.0065	0.1502	1
Brugia malayi	MH2 domain containing protein	0.0118	0.314	0.368
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.3369	0.401
Schistosoma mansoni	pyruvate kinase	0.0033	0.0518	0.0616
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1008	0.112
Toxoplasma gondii	LsmAD domain-containing protein	0.0052	0.1107	0.3968
Echinococcus granulosus	pyruvate kinase	0.0033	0.0518	0.0518
Brugia malayi	RNA recognition motif domain containing protein	0.0125	0.3369	0.3955
Loa Loa (eye worm)	TAR-binding protein	0.0125	0.3369	0.3955
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.093	0.1107
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0076	0.0114
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0604	0.0906
Echinococcus multilocularis	pyruvate kinase	0.0065	0.1502	0.1502
Echinococcus granulosus	pyruvate kinase	0.0065	0.1502	0.1502
Brugia malayi	beta-lactamase family protein	0.0036	0.0604	0.0635
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0076	0.0076
Brugia malayi	beta-lactamase	0.0036	0.0604	0.0635
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0065	0.1502	1
Onchocerca volvulus		0.005	0.1019	0.4624
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0604	0.4021
Schistosoma mansoni	hypothetical protein	0.0034	0.0524	0.0624
Giardia lamblia	Pyruvate kinase	0.0065	0.1502	0.7886
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0287	0.8401	0.8401
Echinococcus multilocularis	tar DNA binding protein	0.0125	0.3369	0.3369
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0231	0.6664	1
Loa Loa (eye worm)	pyruvate kinase	0.0065	0.1502	0.1713
Onchocerca volvulus	Pyruvate kinase homolog	0.0065	0.1502	1
Chlamydia trachomatis	pyruvate kinase	0.0065	0.1502	0.5
Trypanosoma cruzi	DNA polymerase eta, putative	0.0031	0.0452	0.2635
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0604	0.0635
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.093	0.093
Brugia malayi	hypothetical protein	0.0052	0.1107	0.1239
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.093	0.1107
Entamoeba histolytica	acetyltransferase, GNAT family	0.0077	0.1885	1
Entamoeba histolytica	hypothetical protein	0.007	0.1661	0.8764
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0604	0.2872
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0604	0.0604
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.1107	0.4311
Trypanosoma brucei	pyruvate kinase 1, putative	0.0065	0.1502	1
Echinococcus multilocularis	pyruvate kinase	0.0051	0.1076	0.1076
Giardia lamblia	Pyruvate kinase	0.0033	0.0518	0.2443
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0524	0.0539
Entamoeba histolytica	pyruvate kinase, putative	0.0045	0.089	0.4502
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0604	0.0719
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0604	0.0635
Plasmodium vivax	ataxin-2 like protein, putative	0.0052	0.1107	0.3717
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.093	0.093
Schistosoma mansoni	hypothetical protein	0.0023	0.0209	0.0249
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0604	0.3703
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.093	0.093
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0604	0.0635
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0076	0.0504
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0076	0.009
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0065	0.1502	0.2254
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1008	0.112
Schistosoma mansoni	hypothetical protein	0.0165	0.4607	0.5484
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0604	0.3703
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0604	0.0906
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0604	0.2872
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0084	0.2103	0.2103
Schistosoma mansoni	hypothetical protein	0.0165	0.4607	0.5484
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0287	0.8401	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.007	0.1661	0.1661
Loa Loa (eye worm)	hypothetical protein	0.005	0.1019	0.1133
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.093	0.1107
Entamoeba histolytica	hypothetical protein	0.007	0.1661	0.8764
Trypanosoma brucei	pyruvate kinase 1	0.0065	0.1502	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.093	0.1026
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.1107	0.7229
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0065	0.1502	0.1713
Brugia malayi	hypothetical protein	0.007	0.1661	0.1904
Plasmodium vivax	pyruvate kinase, putative	0.0065	0.1502	0.6209
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0023	0.0209	0.0209
Toxoplasma gondii	pyruvate kinase PyK1	0.0065	0.1502	0.6361
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0604	0.0635
Echinococcus granulosus	pyruvate kinase	0.0033	0.0518	0.0518
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0065	0.1502	1
Loa Loa (eye worm)	acetyltransferase	0.0287	0.8401	1
Echinococcus granulosus	pyruvate kinase	0.0033	0.0518	0.0518
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0604	0.4021
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1008	0.112
Loa Loa (eye worm)	pyruvate kinase-PB	0.0045	0.089	0.0978
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1502	0.1713
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0518	0.0518
Brugia malayi	Pyruvate kinase, alpha/beta domain containing protein	0.002	0.0092	0.0019
Brugia malayi	RNA binding protein	0.0125	0.3369	0.3955
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0518	0.0518
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0023	0.0209	0.0209
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0076	0.0076
Entamoeba histolytica	hypothetical protein	0.007	0.1661	0.8764
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0084	0.2103	1
Mycobacterium ulcerans	lipase LipD	0.0036	0.0604	0.4021
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0604	0.0635
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0604	0.0604
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0604	0.4021
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0604	0.0635
Schistosoma mansoni	pyruvate kinase	0.0065	0.1502	0.1788
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1107	0.1239
Trichomonas vaginalis	pyruvate kinase, putative	0.0065	0.1502	0.7142
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.1107	0.7229
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.1107	0.4311
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0125	0.3369	0.3955
Brugia malayi	acetyltransferase, GNAT family protein	0.0287	0.8401	1
Giardia lamblia	Histone acetyltransferase GCN5	0.0077	0.1885	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0084	0.2103	1
Trichomonas vaginalis	esterase, putative	0.0036	0.0604	0.2872
Brugia malayi	TAR-binding protein	0.0125	0.3369	0.3955
Entamoeba histolytica	hypothetical protein	0.007	0.1661	0.8764
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0604	0.0906
Schistosoma mansoni	DNA polymerase eta	0.0045	0.0863	0.1027
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0084	0.2103	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0604	0.0635
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0524	0.0539
Treponema pallidum	bacterioferrin (TpF1)	0.0017	0	0.5
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0076	0.036
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0518	0.0518
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.093	0.1026
Trypanosoma brucei	DNA polymerase eta, putative	0.0045	0.0863	0.5517
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1008	0.112
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0279	0.8151	0.8151
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0065	0.1502	1
Leishmania major	hypothetical protein, conserved	0.0052	0.1107	0.7229
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0017	0	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0604	0.2872
Onchocerca volvulus	Pyruvate kinase homolog	0.0065	0.1502	1
Loa Loa (eye worm)	pyruvate kinase	0.0065	0.1502	0.1713
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.3369	0.401
Toxoplasma gondii	ABC1 family protein	0.0036	0.0604	0.0923
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0076	0.0504
Trypanosoma cruzi	DNA polymerase eta, putative	0.0045	0.0863	0.5517
Brugia malayi	hypothetical protein	0.0034	0.053	0.0546
Plasmodium falciparum	pyruvate kinase	0.0065	0.1502	0.7202
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0084	0.2103	1
Echinococcus granulosus	geminin	0.0165	0.4607	0.4607
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.3369	0.401
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0604	0.2872
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.314	0.368
Loa Loa (eye worm)	RNA binding protein	0.0125	0.3369	0.3955
Schistosoma mansoni	transcription factor LCR-F1	0.007	0.1661	0.1977
Echinococcus multilocularis	tumor protein p63	0.0338	1	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0604	0.0906
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0604	0.0906
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0604	0.2872
Echinococcus multilocularis	dna polymerase eta	0.0045	0.0863	0.0863
Leishmania major	DNA polymerase eta, putative	0.0045	0.0863	0.5517
Echinococcus multilocularis	pyruvate kinase	0.0065	0.1502	0.1502
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0076	0.009
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0604	0.0635
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0604	0.0635
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.3369	0.401
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0604	0.4021
Loa Loa (eye worm)	hypothetical protein	0.0045	0.089	0.0978
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0604	0.0719
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0084	0.2103	1
Leishmania major	hypothetical protein, conserved	0.0036	0.0604	0.3703
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0076	0.0114
Schistosoma mansoni	hypothetical protein	0.007	0.1661	0.1977
Loa Loa (eye worm)	pyruvate kinase	0.0065	0.1502	0.1713
Trichomonas vaginalis	pyruvate kinase, putative	0.0065	0.1502	0.7142
Leishmania major	pyruvate kinase	0.0065	0.1502	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0604	0.0906
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0604	0.3703
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0604	0.0906
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0604	0.0906
Toxoplasma gondii	pyruvate kinase PyKII	0.0033	0.0518	0.04
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0604	0.4021
Echinococcus granulosus	dna polymerase eta	0.0045	0.0863	0.0863
Plasmodium falciparum	histone acetyltransferase GCN5	0.0077	0.1885	1
Leishmania major	DNA polymerase eta, putative	0.0031	0.0452	0.2635
Brugia malayi	ImpB/MucB/SamB family protein	0.0045	0.0863	0.0945
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.093	0.093
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0076	0.0076
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.314	0.368
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0076	0.036
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0065	0.1502	0.1713
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.1019	0.1213

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	18.526 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)	56.2341 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (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: CHEMBL1871391

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 1134345