TDR Targets

Basic information

Technical information

TDR Targets ID: 506911
Name: N-cyclopentyl-4-[5,7-dichloro-2-(4-methoxyphe nyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-a mine
MW: 454.352 | Formula: C23H21Cl2N5O
H donors: 1 H acceptors: 3 LogP: 5.81 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1nn2c(c1c1ccnc(n1)NC1CCCC1)cc(cc2Cl)Cl
InChi: 1S/C23H21Cl2N5O/c1-31-17-8-6-14(7-9-17)22-21(19-12-15(24)13-20(25)30(19)29-22)18-10-11-26-23(28-18)27-16-4-2-3-5-16/h6-13,16H,2-5H2,1H3,(H,26,27,28)
InChiKey: UPURSWNGJDCEHG-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-cyclopentyl-4-[5,7-dichloro-2-(4-methoxyphenyl)-3-pyrazolo[1,5-a]pyridinyl]-2-pyrimidinamine
cyclopentyl-[4-[5,7-dichloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amine

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
Trypanosoma cruzi	target of rapamycin kinase 3	0.0041	0.0316	0.0978
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0233	0.1054
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0233	0.0722
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0233	0.1054
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0041	0.0316	0.0316
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0044	0.0363	0.2096
Brugia malayi	beta-lactamase	0.0036	0.0233	0.1054
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0041	0.0316	0.0978
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0041	0.0316	0.0316
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0041	0.0316	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0149	0.2215	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0386	0.1743
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0233	0.1054
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0233	0.6439
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0041	0.0316	0.0264
Entamoeba histolytica	acetyltransferase, GNAT family	0.004	0.0298	0.9433
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0232	0.3695	1
Toxoplasma gondii	ABC1 family protein	0.0036	0.0233	0.1349
Giardia lamblia	GTOR	0.0041	0.0316	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0121	0.173	0.173
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0044	0.0363	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0044	0.0363	0.2096
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0386	0.0386
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0041	0.0316	0.0316
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Schistosoma mansoni	aldehyde dehydrogenase	0.0121	0.173	0.7811
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0233	0.5
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0041	0.0316	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0233	0.0233
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0233	0.1054
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0041	0.0316	0.0978
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0121	0.173	0.173
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0121	0.173	0.4769
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0041	0.0316	0.1428
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0041	0.0316	0.0264
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0144	0.2141	0.2141
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0041	0.0316	0.0264
Onchocerca volvulus		0.0036	0.0233	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0233	0.1054
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0233	0.1054
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0121	0.173	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0121	0.173	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0386	0.1743
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0041	0.0316	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0121	0.173	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0041	0.0316	0.1428
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0044	0.0363	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0044	0.0363	0.0363
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0041	0.0316	0.0316
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0386	0.1743
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0047	0.1289
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0041	0.0316	0.1428
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0233	0.7382
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0233	0.0722
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0041	0.0316	0.1428
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0233	0.6439
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0044	0.0363	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0121	0.173	0.7811
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0233	0.1054
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0233	0.6439
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Brugia malayi	beta-lactamase family protein	0.0036	0.0233	0.1054
Plasmodium falciparum	histone acetyltransferase GCN5	0.004	0.0298	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Onchocerca volvulus		0.0036	0.0233	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0386	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0233	0.1054
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0233	0.6439
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0041	0.0316	0.0264
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.059	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0121	0.173	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0026	0.0047	0.1478
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0047	0.0211
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0041	0.0316	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0041	0.0316	0.0978
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0386	0.1743
Trypanosoma cruzi	hypothetical protein, conserved	0.0206	0.3232	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0041	0.0316	0.0978
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0041	0.0316	0.1828
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0233	0.1054
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Onchocerca volvulus		0.0036	0.0233	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0233	0.5
Brugia malayi	beta-lactamase family protein	0.0036	0.0233	0.1054
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0041	0.0316	0.0264
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0233	0.6439
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0233	0.0233
Brugia malayi	acetyltransferase, GNAT family protein	0.0149	0.2215	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0041	0.0316	1
Leishmania major	hypothetical protein, conserved	0.0214	0.3371	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0149	0.2215	0.2215
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0121	0.173	0.4323
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0386	0.1743
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Trichomonas vaginalis	esterase, putative	0.0036	0.0233	0.6439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0233	0.1054
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0041	0.0316	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0041	0.0316	1
Loa Loa (eye worm)	acetyltransferase	0.0149	0.2215	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0026	0.0047	0.027
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0233	0.1054
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0386	0.0386
Loa Loa (eye worm)	phosphatidylinositol 3	0.0041	0.0316	0.1428
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0047	0.1289
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0386	0.0386
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0316	0.8722
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0041	0.0316	0.1428

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (ADMET)	> 40 uM	Cytotoxicity against african green monkey Vero cells	ChEMBL.	18086523
IC50 (functional)	= 5.3 uM	Antiviral activity against HSV1 SC16 in african green monkey Vero cells	ChEMBL.	18086523

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

ChEMBL: CHEMBL254264
PubChem: 10297860

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 506911