TDR Targets

Basic information

Technical information

TDR Targets ID: 763431
Name: 3-[2-(4-chloro-3-methylphenoxy)-4-oxopyrido[1 ,2-a]pyrimidin-3-yl]-2-cyano-N-(3-propan-2-yl oxypropyl)prop-2-enamide
MW: 480.943 | Formula: C25H25ClN4O4
H donors: 1 H acceptors: 3 LogP: 3.5 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: N#CC(=Cc1c(Oc2ccc(c(c2)C)Cl)nc2n(c1=O)cccc2)C(=O)NCCCOC(C)C
InChi: 1S/C25H25ClN4O4/c1-16(2)33-12-6-10-28-23(31)18(15-27)14-20-24(34-19-8-9-21(26)17(3)13-19)29-22-7-4-5-11-30(22)25(20)32/h4-5,7-9,11,13-14,16H,6,10,12H2,1-3H3,(H,28,31)/b18-14+
InChiKey: IPSMMBOXHRFDOV-NBVRZTHBSA-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

(E)-3-[2-(4-chloro-3-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(3-propan-2-yloxypropyl)prop-2-enamide
(E)-3-[2-(4-chloro-3-methyl-phenoxy)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(3-isopropoxypropyl)prop-2-enamide
3-[2-(4-chloro-3-methyl-phenoxy)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(3-isopropoxypropyl)prop-2-enamide
(E)-3-[2-(4-chloro-3-methylphenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-N-(3-isopropoxypropyl)prop-2-enamide
3-[2-(4-chloro-3-methylphenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-N-(3-isopropoxypropyl)prop-2-enamide
3-[2-(4-chloro-3-methyl-phenoxy)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(3-isopropoxypropyl)acrylamide
(E)-3-[2-(4-chloro-3-methyl-phenoxy)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(3-isopropoxypropyl)acrylamide
3-[2-(4-chloro-3-methyl-phenoxy)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(3-propan-2-yloxypropyl)prop-2-enamide
(E)-3-[2-(4-chloro-3-methyl-phenoxy)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(3-propan-2-yloxypropyl)prop-2-enamide

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
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0046	0.1161	0.3851
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0754	0.6498
Plasmodium falciparum	glutathione reductase	0.0033	0.0707	0.192
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0033	0.0707	0.2195
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0218	0.7032	0.8919
Trypanosoma brucei	trypanothione reductase	0.0095	0.2844	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0033	0.0707	0.2195
Echinococcus granulosus	lamin	0.0027	0.0487	0.1669
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0513	0.4418
Loa Loa (eye worm)	glutathione reductase	0.0095	0.2844	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0411	0.0319
Loa Loa (eye worm)	hypothetical protein	0.0018	0.02	0.0653
Loa Loa (eye worm)	hypothetical protein	0.0018	0.02	0.0653
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0037	0.0837	0.2671
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0836	0.7204
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0513	0.4418
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0106	0.0916
Plasmodium falciparum	glutathione reductase	0.0095	0.2844	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0095	0.2844	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0016	0.0106	0.0323
Brugia malayi	Thioredoxin reductase	0.0095	0.2844	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0033	0.0707	0.192
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0033	0.0707	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0836	0.7204
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0411	0.1251
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0033	0.0707	1
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0024	0.0407	0.1235
Trypanosoma cruzi	trypanothione reductase, putative	0.0095	0.2844	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0604	0.5205
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0411	0.4167
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0034	0.0754	0.0219
Mycobacterium tuberculosis	Probable oxidoreductase	0.0242	0.7864	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0033	0.0707	0.192
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0037	0.0837	0.2671
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0411	0.1401
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0016	0.0106	0.0323
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0754	0.6498
Leishmania major	trypanothione reductase	0.0095	0.2844	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0218	0.7032	0.8919
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0019	0.0233	0.0464
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0522	0.4499
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0033	0.0707	0.2195
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0754	0.6498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0754	0.6498
Loa Loa (eye worm)	phosphatidylinositol 3	0.0046	0.1161	0.405
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0024	0.0407	0.1235
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0431	0.3713
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0033	0.0707	0.5
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0033	0.0707	0.2195
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0046	0.1161	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0487	0.1669
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0016	0.0106	0.0323
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0033	0.0707	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0033	0.0707	0.2195
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.043	0.3702
Schistosoma mansoni	lamin	0.0027	0.0487	0.0385
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0411	0.4167
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0411	0.4167
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0033	0.0707	0.2195
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0522	0.4499
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0411	0.1251
Trypanosoma cruzi	trypanothione reductase, putative	0.0033	0.0707	0.2195
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0218	0.7032	0.8919
Loa Loa (eye worm)	hypothetical protein	0.0018	0.02	0.0653
Loa Loa (eye worm)	hypothetical protein	0.0018	0.02	0.0653
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0431	0.3713
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0046	0.1161	0.3851
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0836	0.7204
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0218	0.7032	0.8883
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0836	0.7204
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0242	0.7864	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0033	0.0707	0.2195
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0638	0.5501
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0033	0.0707	0.2195
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0033	0.0707	0.2195
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0033	0.0707	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0929	0.8002
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0033	0.0707	0.192
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0046	0.1161	0.3947
Trichomonas vaginalis	glutathione reductase, putative	0.0033	0.0707	0.6094
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0033	0.0707	0.192
Onchocerca volvulus		0.0027	0.0487	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0754	0.6498
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0033	0.0707	0.2448
Loa Loa (eye worm)	hypothetical protein	0.0018	0.02	0.0653
Trichomonas vaginalis	mercuric reductase, putative	0.0033	0.0707	0.6094
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0411	0.4167
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0242	0.7864	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0046	0.1161	0.3851
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0106	0.0916
Brugia malayi	glutathione reductase	0.0095	0.2844	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0431	0.3713
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0754	0.6498
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0033	0.0707	0.2448
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0033	0.0707	0.2195
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0033	0.0707	0.2195
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0046	0.1161	0.3851
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0411	0.4167
Loa Loa (eye worm)	hypothetical protein	0.0026	0.047	0.161
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0431	0.3713
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0411	0.1114
Mycobacterium tuberculosis	Probable reductase	0.0218	0.7032	0.8919
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0046	0.1161	0.1066
Echinococcus granulosus	thioredoxin glutathione reductase	0.0095	0.2844	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0016	0.0106	0.0155
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.043	0.3702
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0046	0.1161	0.405
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0046	0.1161	0.405
Loa Loa (eye worm)	thioredoxin reductase	0.0095	0.2844	1
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0487	0.0385
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0033	0.0707	0.2195
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0106	0.0916
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0411	0.1401
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0046	0.1161	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0033	0.0707	0.2316
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0487	0.1524
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0033	0.0707	0.2195
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0063	0.0171
Toxoplasma gondii	thioredoxin reductase	0.0095	0.2844	1
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0022	0.0325	0.0797
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0218	0.7032	0.8919
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0033	0.0707	0.0607
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0033	0.0707	0.2195
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0411	0.1251
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0836	0.7204
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0754	0.6498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0106	0.0916
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0095	0.2844	0.3479
Plasmodium falciparum	thioredoxin reductase	0.0095	0.2844	1
Echinococcus granulosus	lamin dm0	0.0027	0.0487	0.1669
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0106	0.0916
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0033	0.0707	0.0704
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0046	0.1161	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0218	0.7032	0.8919
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.043	0.3702
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0242	0.7864	1
Brugia malayi	intermediate filament protein	0.0027	0.0487	0.1524
Plasmodium vivax	thioredoxin reductase, putative	0.0095	0.2844	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0046	0.1161	1
Schistosoma mansoni	lamin	0.0027	0.0487	0.0385
Trypanosoma cruzi	target of rapamycin kinase 3	0.0037	0.0837	0.2671
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0411	0.4167
Onchocerca volvulus		0.0027	0.0487	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0411	0.1401
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0487	0.1669
Echinococcus multilocularis	lamin dm0	0.0027	0.0487	0.1669
Echinococcus granulosus	intermediate filament protein	0.0027	0.0487	0.1669
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0411	0.4167
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0046	0.1161	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.02	0.0044
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0046	0.1161	0.3851
Plasmodium vivax	glutathione reductase, putative	0.0095	0.2844	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0411	0.4167
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0411	0.1114
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0411	0.0319
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0033	0.0707	1
Treponema pallidum	NADH oxidase	0.0033	0.0707	0.5
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0033	0.0707	0.2195
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0487	0.1669
Echinococcus multilocularis	lamin	0.0027	0.0487	0.1669
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0411	0.1114
Echinococcus multilocularis	musashi	0.0027	0.0487	0.1669
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0046	0.1161	0.3851
Plasmodium falciparum	thioredoxin reductase	0.0033	0.0707	0.192
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0033	0.0707	0.2195
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0522	0.4499
Giardia lamblia	GTOR	0.0046	0.1161	1

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 763431