TDR Targets

Basic information

Technical information

TDR Targets ID: 519899
Name: 1-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(4-chlo rophenyl)urea
MW: 339.779 | Formula: C17H14ClN5O
H donors: 3 H acceptors: 3 LogP: 2.71 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)Cl)Nc1ccc(cc1)c1ccnc(n1)N
InChi: 1S/C17H14ClN5O/c18-12-3-7-14(8-4-12)22-17(24)21-13-5-1-11(2-6-13)15-9-10-20-16(19)23-15/h1-10H,(H2,19,20,23)(H2,21,22,24)
InChiKey: VRVZDJZJYBNUEU-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

1-[4-(2-amino-4-pyrimidinyl)phenyl]-3-(4-chlorophenyl)urea
1-[4-(2-azanylpyrimidin-4-yl)phenyl]-3-(4-chlorophenyl)urea

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	carboxylesterase 5A	0.0073	0.309	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.309	0.309
Onchocerca volvulus		0.0012	0.0122	0.1692
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0719	0.5
Onchocerca volvulus		0.0012	0.0122	0.1692
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0416	0.0416
Brugia malayi	DNA-binding protein D-ETS-3	0.001	0.0019	0.0019
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0719	1
Echinococcus granulosus	ETS transcription factor Elf 1	0.001	0.0019	0.0061
Echinococcus multilocularis	GA binding protein alpha chain	0.0071	0.2971	0.9613
Schistosoma mansoni	acetylcholinesterase	0.0012	0.0122	0.0122
Schistosoma mansoni	ets	0.001	0.0019	0.0019
Echinococcus granulosus	neuroligin	0.0012	0.0122	0.0394
Loa Loa (eye worm)	fli-1 protein	0.0215	1	1
Echinococcus multilocularis	ets variant gene 4	0.001	0.0019	0.0061
Schistosoma mansoni	hypothetical protein	0.001	0.0019	0.0019
Brugia malayi	Carboxylesterase family protein	0.0012	0.0122	0.0122
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0719	0.0719
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0073	0.309	0.309
Echinococcus multilocularis	ewsr:fli fusion protein type	0.001	0.0019	0.0061
Brugia malayi	Carboxylesterase family protein	0.0012	0.0122	0.0122
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0012	0.0122	0.0394
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0416	0.5
Schistosoma mansoni	ets-related	0.0215	1	1
Echinococcus granulosus	tar DNA binding protein	0.0062	0.2538	0.8214
Brugia malayi	hypothetical protein	0.0012	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0122	0.0122
Schistosoma mansoni	hypothetical protein	0.001	0.0019	0.0019
Echinococcus granulosus	GA binding protein alpha chain	0.0071	0.2971	0.9613
Echinococcus granulosus	para nitrobenzyl esterase	0.0012	0.0122	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0719	0.0719
Loa Loa (eye worm)	carboxylesterase	0.0073	0.309	0.309
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0012	0.0122	0.0122
Onchocerca volvulus		0.0025	0.0719	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2538	0.2538
Loa Loa (eye worm)	RNA binding protein	0.0062	0.2538	0.2538
Brugia malayi	TAR-binding protein	0.0062	0.2538	0.2538
Schistosoma mansoni	elf1	0.001	0.0019	0.0019
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0416	0.4919
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0122	0.0122
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0719	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0416	0.0416
Echinococcus granulosus	protein C ets 2	0.001	0.0019	0.0061
Echinococcus multilocularis	acetylcholinesterase	0.0073	0.309	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0416	0.5
Schistosoma mansoni	gabp alpha	0.0071	0.2971	0.2971
Brugia malayi	Ets-domain containing protein	0.0071	0.2971	0.2971
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0012	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0719	0.0719
Echinococcus multilocularis	ETS transcription factor Elf 2	0.001	0.0019	0.0061
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0012	0.0122	0.0122
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0012	0.0122	0.0122
Schistosoma mansoni	ets-related	0.001	0.0019	0.0019
Brugia malayi	Carboxylesterase family protein	0.0012	0.0122	0.0122
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0719	0.0719
Loa Loa (eye worm)	hypothetical protein	0.006	0.247	0.247
Schistosoma mansoni	gliotactin	0.0012	0.0122	0.0122
Echinococcus granulosus	ewsr:fli fusion protein type	0.001	0.0019	0.0061
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2538	0.2538
Trichomonas vaginalis	spcc417.12 protein, putative	0.0012	0.0122	0.5
Echinococcus multilocularis	acetylcholinesterase	0.0073	0.309	1
Brugia malayi	Ets-domain containing protein	0.001	0.0019	0.0019
Echinococcus multilocularis	para nitrobenzyl esterase	0.0012	0.0122	0.0394
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0719	0.5
Echinococcus granulosus	acetylcholinesterase	0.0073	0.309	1
Loa Loa (eye worm)	ets-domain-containing protein	0.001	0.0019	0.0019
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0719	0.5
Echinococcus granulosus	ETS transcription factor Elf 2	0.001	0.0019	0.0061
Loa Loa (eye worm)	D-ets-2 protein	0.001	0.0019	0.0019
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0012	0.0122	0.0394
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0719	1
Echinococcus multilocularis	ETS transcription factor Elf 1	0.001	0.0019	0.0061
Echinococcus multilocularis	ETS transcription factor Elf 2	0.001	0.0019	0.0061
Loa Loa (eye worm)	carboxylesterase	0.0012	0.0122	0.0122
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0719	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0019	0.0019
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0719	0.5
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0012	0.0122	0.0394
Echinococcus granulosus	acetylcholinesterase	0.0073	0.309	1
Onchocerca volvulus		0.0012	0.0122	0.1692
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.2538	0.2538
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.2538	0.2538
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0367	0.4099
Echinococcus granulosus	ETS domain containing protein Elk 1	0.001	0.0019	0.0061
Echinococcus granulosus	ETS transcription factor Elf 5	0.001	0.0019	0.0061
Loa Loa (eye worm)	acetylcholinesterase 1	0.0073	0.309	0.309
Onchocerca volvulus		0.0012	0.0122	0.1692
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0719	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0719	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2538	0.2538
Loa Loa (eye worm)	carboxylesterase	0.0012	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0416	0.0416
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0122	0.0122
Brugia malayi	Ets-domain containing protein	0.0071	0.2971	0.2971
Schistosoma mansoni	BC026374 protein (S09 family)	0.0012	0.0122	0.0122
Echinococcus multilocularis	protein C ets 2	0.001	0.0019	0.0061
Onchocerca volvulus		0.0012	0.0122	0.1692
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.0719	0.5
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0071	0.2971	0.2971
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.001	0.0019	0.0019
Brugia malayi	RNA binding protein	0.0062	0.2538	0.2538
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0122	0.0122
Brugia malayi	transcription factor E74 isoform	0.001	0.0019	0.0019
Echinococcus multilocularis	carboxylesterase 5A	0.0073	0.309	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0719	1
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0719	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0416	0.5
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0719	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0416	0.0416
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0719	0.5
Brugia malayi	Carboxylesterase family protein	0.0073	0.309	0.309
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0367	0.4099
Brugia malayi	Carboxylesterase family protein	0.0012	0.0122	0.0122
Brugia malayi	Carboxylesterase family protein	0.0073	0.309	0.309
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0719	0.0719
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0367	0.4099
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.2538	0.2538
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0367	0.4099
Echinococcus granulosus	ETS transcription factor Elf 2	0.001	0.0019	0.0061
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.2538	0.8214
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0719	1
Schistosoma mansoni	polyomavirus enhancer activator 3 pea3	0.001	0.0019	0.0019
Echinococcus multilocularis	ETS transcription factor Elf 5	0.001	0.0019	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0073	0.309	0.309
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0719	0.0719
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0719	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0019	0.0019
Echinococcus multilocularis	ETS domain containing protein Elk 1	0.001	0.0019	0.0061
Echinococcus multilocularis	neuroligin	0.0012	0.0122	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0122	0.0122
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0416	0.4919
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0122	0.0122
Loa Loa (eye worm)	DNA-binding protein D-ETS-3	0.001	0.0019	0.0019
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2538	0.2538
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0012	0.0122	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2538	0.2538
Echinococcus granulosus	BC026374 protein S09 family	0.0012	0.0122	0.0394
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0719	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0416	0.0416

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 400 uM	Inhibition of Staphylococcus aures sortase A by FRET assay	ChEMBL.	18023345
IC50 (binding)	= 400 uM	Inhibition of Staphylococcus aures sortase A by FRET assay	ChEMBL.	18023345

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

PubChem: 25190397

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 519899