TDR Targets

Basic information

Technical information

TDR Targets ID: 845296
Name: 5-chloro-N-(2-fluorophenyl)-2-propylsulfanylp yrimidine-4-carboxamide
MW: 325.789 | Formula: C14H13ClFN3OS
H donors: 1 H acceptors: 3 LogP: 3.84 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCSc1ncc(c(n1)C(=O)Nc1ccccc1F)Cl
InChi: 1S/C14H13ClFN3OS/c1-2-7-21-14-17-8-9(15)12(19-14)13(20)18-11-6-4-3-5-10(11)16/h3-6,8H,2,7H2,1H3,(H,18,20)
InChiKey: RMPLDQAHWJWYGZ-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

5-chloro-N-(2-fluorophenyl)-2-propylsulfanyl-pyrimidine-4-carboxamide
5-chloro-N-(2-fluorophenyl)-2-(propylthio)-4-pyrimidinecarboxamide
5-chloro-N-(2-fluorophenyl)-2-(propylthio)pyrimidine-4-carboxamide

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
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0366	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0366	0.0324
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0023	0.0366	0.0324
Brugia malayi	CAAX amino terminal protease family protein	0.0106	0.3542	0.4002
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0794	0.205
Leishmania major	4-coumarate:coa ligase-like protein	0.0055	0.1575	0.431
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0023	0.0366	0.0324
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0023	0.0366	0.0324
Entamoeba histolytica	CAAX prenyl protease family	0.0106	0.3542	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1575	0.1725
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0023	0.0366	0.081
Brugia malayi	ecdysteroid receptor	0.0023	0.0366	0.0324
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0023	0.0366	0.0324
Toxoplasma gondii	hypothetical protein	0.0022	0.0308	0.313
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0794	0.205
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0023	0.0366	0.0324
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0022	0.0308	0.1953
Entamoeba histolytica	CAAX amino terminal protease family	0.0022	0.0308	0.0642
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0023	0.0366	0.081
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0023	0.0366	0.0324
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0055	0.1575	1
Plasmodium falciparum	protease, putative	0.0022	0.0308	0.2318
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0039	0.0956	0.6071
Echinococcus multilocularis	ecdysone induced protein 78C	0.0023	0.0366	0.081
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0016	0.0086	0.0546
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0055	0.1575	1
Toxoplasma gondii	hypothetical protein	0.0022	0.0308	0.313
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0023	0.0366	0.0282
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0023	0.0366	0.0324
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0023	0.0366	0.081
Trichomonas vaginalis	Clan U, family U48, CaaX prenyl peptidase 2-like	0.0106	0.3542	0.3485
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0023	0.0366	0.0324
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0023	0.0366	0.081
Mycobacterium ulcerans	hypothetical protein	0.0022	0.0308	0.1489
Leishmania major	CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48)	0.0106	0.3542	1
Echinococcus granulosus	FTZ F1 alpha	0.0023	0.0366	0.081
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0023	0.0366	0.081
Entamoeba histolytica	acyl-coA synthetase, putative	0.0055	0.1575	0.431
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0023	0.0366	0.0324
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0023	0.0366	0.081
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1575	0.1725
Plasmodium vivax	protease, putative	0.0022	0.0308	0.2318
Loa Loa (eye worm)	steroid hormone receptor	0.0023	0.0366	0.0324
Echinococcus granulosus	ecdysone induced protein 78C	0.0023	0.0366	0.081
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0023	0.0366	0.081
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0039	0.0956	0.6071
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0366	0.0324
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0041	0.1042	1
Mycobacterium ulcerans	hypothetical protein	0.0055	0.1575	1
Brugia malayi	steroid hormone receptor	0.0023	0.0366	0.0324
Brugia malayi	Nuclear hormone receptor-like 1	0.0023	0.0366	0.0324
Trypanosoma cruzi	peptidase with unknown catalytic mechanism (family U48)	0.0106	0.3542	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0039	0.0956	0.6071
Mycobacterium tuberculosis	Probable integral membrane protein	0.0022	0.0308	0.1953
Onchocerca volvulus	Bile acid receptor homolog	0.0023	0.0366	0.0282
Brugia malayi	Steroid receptor seven-up type 2	0.0023	0.0366	0.0324
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0023	0.0366	0.081
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0016	0.0086	0.0546
Mycobacterium ulcerans	hypothetical protein	0.0022	0.0308	0.1489
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0366	0.0324
Leishmania major	4-coumarate:coa ligase-like protein	0.0055	0.1575	0.431
Mycobacterium tuberculosis	Probable conserved integral membrane protein	0.0022	0.0308	0.1953
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0366	0.0324
Schistosoma mansoni	retinoic acid receptor RXR	0.0023	0.0366	0.081
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0023	0.0366	0.081
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0023	0.0366	0.0324
Treponema pallidum	hypothetical protein	0.0022	0.0308	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0023	0.0366	0.081
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0023	0.0366	0.081
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0016	0.0086	0.0546
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0055	0.1575	0.431
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0023	0.0366	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1042	0.1108
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0106	0.3542	1
Schistosoma mansoni	thyroid hormone receptor	0.0023	0.0366	0.081
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0023	0.0366	0.0324
Mycobacterium ulcerans	acyl-CoA synthetase	0.0055	0.1575	1
Mycobacterium tuberculosis	Probable conserved integral membrane protein	0.0022	0.0308	0.1953
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0039	0.0956	0.6071
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0366	0.0324
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0023	0.0366	0.0324
Schistosoma mansoni	RAR-like nuclear receptor	0.0023	0.0366	0.081
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0055	0.1575	0.431
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0023	0.0366	0.0324
Onchocerca volvulus		0.0023	0.0366	0.0282
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0023	0.0366	0.081
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0086	0.0546
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0023	0.0366	0.081
Plasmodium vivax	acyl-CoA synthetase, putative	0.0041	0.1042	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0023	0.0366	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0366	0.0324
Brugia malayi	nuclear hormone receptor	0.0023	0.0366	0.0324
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0055	0.1575	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0023	0.0366	0.0324
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0023	0.0366	0.0324
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0794	0.205
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0086	0.0546
Trichomonas vaginalis	set domain proteins, putative	0.0275	1	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0055	0.1575	0.431
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0035	0.0794	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0055	0.1575	1
Entamoeba histolytica	CAAX amino terminal protease family	0.0022	0.0308	0.0642
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0041	0.1042	0.6421
Brugia malayi	AMP-binding enzyme family protein	0.0055	0.1575	0.1725
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0794	0.205
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0746	0.1909
Brugia malayi	AMP-binding enzyme family protein	0.0055	0.1575	0.1725
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0041	0.1042	0.6617
Plasmodium falciparum	acyl-CoA synthetase	0.0041	0.1042	1
Mycobacterium ulcerans	integral membrane protein	0.0022	0.0308	0.1489
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0055	0.1575	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0023	0.0366	0.081
Brugia malayi	Pre-SET motif family protein	0.0035	0.0794	0.082
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0794	0.205
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0794	0.205
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0794	0.205
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0023	0.0366	0.081
Schistosoma mansoni	thyroid hormone receptor	0.0023	0.0366	0.081
Loa Loa (eye worm)	hypothetical protein	0.0106	0.3542	0.4002
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0016	0.0086	0.0546
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0023	0.0366	0.081
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0023	0.0366	0.0324
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0023	0.0366	0.081
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1042	0.1108
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0016	0.0086	0.0546
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0016	0.0086	0.0546
Brugia malayi	AMP-binding enzyme family protein	0.0055	0.1575	0.1725
Echinococcus multilocularis	FTZ F1 alpha	0.0023	0.0366	0.081
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0023	0.0366	0.081
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0055	0.1575	1
Trypanosoma brucei	CAAX amino terminal protease, putative	0.0106	0.3542	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0055	0.1575	1
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0086	0.0546
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0023	0.0366	0.081
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1575	0.1725
Onchocerca volvulus	Protein ultraspiracle homolog	0.0023	0.0366	0.0282
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1042	0.1108
Schistosoma mansoni	coup transcription factor	0.0023	0.0366	0.081
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0016	0.0086	0.0546
Onchocerca volvulus		0.0035	0.0794	0.0714
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0055	0.1575	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0366	0.0324
Brugia malayi	Pre-SET motif family protein	0.0242	0.8721	1
Onchocerca volvulus		0.0055	0.1575	0.1502
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0055	0.1575	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0023	0.0366	0.081
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1042	0.1108
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0055	0.1575	1
Echinococcus granulosus	CAAX prenyl protease 2	0.0106	0.3542	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1042	0.1108
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0023	0.0366	0.081
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0023	0.0366	0.0324
Plasmodium vivax	SET domain protein, putative	0.0035	0.0794	0.7406
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0023	0.0366	0.0324
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0023	0.0366	0.081
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0106	0.3542	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0023	0.0366	0.0324
Trypanosoma cruzi	CAAX prenyl protease 2, putative	0.0106	0.3542	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0086	0.0546
Giardia lamblia	Hypothetical protein	0.0106	0.3542	0.5
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0242	0.8721	1
Echinococcus multilocularis	CAAX prenyl protease 2	0.0106	0.3542	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0794	0.082
Toxoplasma gondii	CAAX amino terminal protease family protein	0.0022	0.0308	0.313
Brugia malayi	nuclear receptor NHR-88	0.0023	0.0366	0.0324

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 845296