TDR Targets

Basic information

Technical information

TDR Targets ID: 153628
Name: 3,6-dipyridin-4-ylpyrazolo[1,5-a]pyrimidine
MW: 273.292 | Formula: C16H11N5
H donors: 0 H acceptors: 4 LogP: 1.44 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: n1ccc(cc1)c1cnc2n(c1)ncc2c1ccncc1
InChi: 1S/C16H11N5/c1-5-17-6-2-12(1)14-9-19-16-15(10-20-21(16)11-14)13-3-7-18-8-4-13/h1-11H
InChiKey: ZLISHOMLHVNDJG-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

3,6-bis(4-pyridyl)pyrazolo[1,5-a]pyrimidine
3,6-di(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
pyrazolo[1,5-a]pyrimidine 1a

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	fms-related tyrosine kinase 1		References
Homo sapiens	fms-related tyrosine kinase 4	Starlite/ChEMBL	References
Homo sapiens	kinase insert domain receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	TK/KIN16 protein kinase	Get druggable targets OG5_130320	All targets in OG5_130320
Onchocerca volvulus		Get druggable targets OG5_130320	All targets in OG5_130320
Brugia malayi	Immunoglobulin I-set domain containing protein	Get druggable targets OG5_130320	All targets in OG5_130320
Onchocerca volvulus	Tyrosine kinase homolog	Get druggable targets OG5_130320	All targets in OG5_130320

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)	CYP4Cod1	0.0042	0.0277	0.0277
Schistosoma mansoni	hypothetical protein	0.0053	0.0463	0.1558
Brugia malayi	Cytochrome P450 family protein	0.0042	0.0277	0.0277
Schistosoma mansoni	Nep2 peptidase (M13 family)	0.0102	0.1289	0.4341
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0107	0.1359	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0075	0.0075
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	0.0107	0.1359	1
Schistosoma mansoni	endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase)	0.0049	0.0404	0.136
Echinococcus multilocularis	neuroglian	0.0035	0.0168	0.0565
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0203	0.2969	0.2969
Loa Loa (eye worm)	hypothetical protein	0.015	0.2084	0.2084
Mycobacterium tuberculosis	Probable zinc metalloprotease Zmp1	0.0203	0.2969	0.5
Schistosoma mansoni	cell adhesion molecule	0.0038	0.0214	0.0722
Schistosoma mansoni	family S10 unassigned peptidase (S10 family)	0.0107	0.1359	0.4577
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0382	0.0382
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0049	0.0404	0.136
Schistosoma mansoni	endothelin-converting enzyme-related	0.0049	0.0404	0.136
Brugia malayi	Serine carboxypeptidase F41C3.5 precursor	0.0107	0.1359	0.1359
Schistosoma mansoni	hypothetical protein	0.0053	0.0463	0.1558
Mycobacterium ulcerans	zinc metalloprotease	0.0203	0.2969	1
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0049	0.0404	0.136
Toxoplasma gondii	peptidase family M13 protein	0.0203	0.2969	0.5
Schistosoma mansoni	hypothetical protein	0.0053	0.0463	0.1558
Echinococcus multilocularis	roundabout 2	0.0048	0.0382	0.1287
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1359	0.1359
Loa Loa (eye worm)	hypothetical protein	0.015	0.2084	0.2084
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0038	0.0214	0.0722
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0107	0.1359	1
Loa Loa (eye worm)	hypothetical protein	0.0154	0.2143	0.2143
Loa Loa (eye worm)	hypothetical protein	0.015	0.2084	0.2084
Schistosoma mansoni	hypothetical protein	0.0053	0.0463	0.1558
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0624	1	1
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	0.0107	0.1359	1
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0203	0.2969	1
Loa Loa (eye worm)	peptidase family M13 containing protein	0.015	0.2084	0.2084
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0102	0.1289	0.4341
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0382	0.0382
Loa Loa (eye worm)	hypothetical protein	0.0154	0.2143	0.2143
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0102	0.1289	0.4341
Loa Loa (eye worm)	zinc metallopeptidase 4	0.0049	0.0404	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0154	0.2143	0.2143
Echinococcus granulosus	neuroglian	0.0035	0.0168	0.0565
Echinococcus multilocularis	lysosomal protective protein	0.0107	0.1359	0.4577
Echinococcus granulosus	endothelin converting enzyme 1	0.0203	0.2969	1
Echinococcus granulosus	twitchin	0.0035	0.0168	0.0565
Echinococcus granulosus	family S10 non peptidase ue S10 family	0.0096	0.1183	0.3984
Loa Loa (eye worm)	hypothetical protein	0.0154	0.2143	0.2143
Brugia malayi	Cytochrome P450 family protein	0.0042	0.0277	0.0277
Leishmania major	serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10	0.0107	0.1359	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1258	0.1258
Schistosoma mansoni	neprilysin	0.0053	0.0463	0.1558
Loa Loa (eye worm)	cytochrome P450 family protein	0.0042	0.0277	0.0277
Schistosoma mansoni	nephrin	0.0035	0.0168	0.0565
Schistosoma mansoni	family S10 non-peptidase homologue (S10 family)	0.0107	0.1359	0.4577
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0053	0.0463	0.1558
Loa Loa (eye worm)	hypothetical protein	0.0154	0.2143	0.2143
Schistosoma mansoni	hypothetical protein	0.0053	0.0463	0.1558
Loa Loa (eye worm)	hypothetical protein	0.0203	0.2969	0.2969
Loa Loa (eye worm)	peptidase family M13 containing protein	0.015	0.2084	0.2084
Loa Loa (eye worm)	hypothetical protein	0.0154	0.2143	0.2143
Echinococcus granulosus	lysosomal protective protein	0.0107	0.1359	0.4577
Echinococcus multilocularis	endothelin converting enzyme 1	0.0203	0.2969	1
Loa Loa (eye worm)	hypothetical protein	0.0203	0.2969	0.2969
Echinococcus multilocularis	family S10 non peptidase ue (S10 family)	0.0096	0.1183	0.3984
Loa Loa (eye worm)	cytochrome P450 family protein	0.0042	0.0277	0.0277
Onchocerca volvulus	Tyrosine kinase homolog	0.0596	0.9531	1
Schistosoma mansoni	hypothetical protein	0.0053	0.0463	0.1558
Loa Loa (eye worm)	hypothetical protein	0.0203	0.2969	0.2969
Brugia malayi	Peptidase family M13 containing protein	0.0203	0.2969	0.2969
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0049	0.0404	0.136
Loa Loa (eye worm)	hypothetical protein	0.015	0.2084	0.2084
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	0.0107	0.1359	1
Onchocerca volvulus		0.0583	0.9325	0.9751
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0214	0.0214
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0102	0.1289	0.4341
Brugia malayi	peptidase family M13 containing protein	0.0049	0.0404	0.0404
Echinococcus granulosus	roundabout 2	0.0048	0.0382	0.1287
Onchocerca volvulus	Uncharacterized serine carboxypeptidase homolog	0.0107	0.1359	0.0122
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0049	0.0404	0.136
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	0.0107	0.1359	1
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0107	0.1359	1
Mycobacterium leprae	probable zinc metalloprotease	0.0203	0.2969	0.5
Schistosoma mansoni	neprilysin-2 (M13 family)	0.0102	0.1289	0.4341

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 224 nM	Inhibitory activity at VEGF-2 receptor.	ChEMBL.	12217372
IC50 (binding)	= 224 nM	Inhibition of Vascular endothelial growth factor receptor 2	ChEMBL.	12443771
IC50 (binding)	= 224 nM	Inhibitory activity at VEGF-2 receptor.	ChEMBL.	12217372
IC50 (binding)	= 224 nM	Inhibition of Vascular endothelial growth factor receptor 2	ChEMBL.	12443771
IC50 (functional)	= 622 nM	Inhibition of VEGF-stimulated mitogenesis in human umbilical vein endothelial cells	ChEMBL.	12217372
IC50 (functional)	= 622 nM	Inhibiton of VEGF-stimulated mitogenesis in endothelial cells	ChEMBL.	12443771
IC50 (functional)	= 622 nM	Inhibition of VEGF-stimulated mitogenesis in human umbilical vein endothelial cells	ChEMBL.	12217372
IC50 (functional)	= 622 nM	Inhibiton of VEGF-stimulated mitogenesis in endothelial cells	ChEMBL.	12443771
logP (ADMET)	= 2.5	Partition coefficient (logP)	ChEMBL.	12217372
logP (ADMET)	= 2.5	Partition coefficient (logP)	ChEMBL.	12443771
Ratio (binding)	= 59	Selectivity for VEGF-receptor 2 (KDR) over Fibroblast growth factor receptor 1	ChEMBL.	12217372
Ratio (binding)	= 0.4	Selectivity for Vascular endothelial growth factor receptor 2 over Platelet-derived growth factor receptor beta	ChEMBL.	12217372
Ratio (binding)	= 2.7	Selectivity for VEGF-receptor 2 (KDR) over Vascular endothelial growth factor receptor 3 (FLT4)	ChEMBL.	12217372
Ratio (binding)	= 4.6	Selectivity for VEGF-receptor 2 (KDR) over Vascular endothelial growth factor receptor 1	ChEMBL.	12217372
Ratio (binding)	= 20	Selectivity for Vascular endothelial growth factor receptor 2 over c-Src kinase	ChEMBL.	12217372
Ratio (binding)	= 59	Selectivity for VEGF-receptor 2 (KDR) over Fibroblast growth factor receptor 1	ChEMBL.	12217372

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: CHEMBL92279
PubChem: 5329454

Bibliographic References

2 literature references were 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 153628