TDR Targets

Basic information

Technical information

TDR Targets ID: 328492
Name: 3-[6-(dimethylamino)-4-methylpyridin-3-yl]-N- heptan-4-yl-2,5-dimethylpyrazolo[1,5-a]pyrimi din-7-amine
MW: 394.556 | Formula: C23H34N6
H donors: 1 H acceptors: 3 LogP: 5.39 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCC(Nc1cc(C)nc2n1nc(c2c1cnc(cc1C)N(C)C)C)CCC
InChi: 1S/C23H34N6/c1-8-10-18(11-9-2)26-21-13-16(4)25-23-22(17(5)27-29(21)23)19-14-24-20(28(6)7)12-15(19)3/h12-14,18,26H,8-11H2,1-7H3
InChiKey: CNAHKPCQESLBPR-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-(dimethylamino)-4-methyl-3-pyridyl]-2,5-dimethyl-N-(1-propylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine
3-[6-(dimethylamino)-4-methyl-3-pyridyl]-2,5-dimethyl-N-(1-propylbutyl)-7-pyrazolo[1,5-a]pyrimidinamine
3-[6-(dimethylamino)-4-methyl-pyridin-3-yl]-N-heptan-4-yl-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-amine
[5-[2,5-dimethyl-7-(1-propylbutylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-4-methyl-2-pyridyl]-dimethyl-amine
3-(6-dimethylamino-4-methylpyridin-3-yl)-N-heptan-4-yl-2,5-dimethylpyrazolo[5,1-b]pyrimidin-7-amine
3-(6-dimethylamino-4-methyl-3-pyridyl)-2,5-dimethyl-N-(1-propylbutyl)pyrazolo[5,1-b]pyrimidin-7-amine
3-(6-dimethylamino-4-methyl-3-pyridyl)-2,5-dimethyl-N-(1-propylbutyl)-7-pyrazolo[5,1-b]pyrimidinamine
[3-(6-dimethylamino-4-methyl-3-pyridyl)-2,5-dimethyl-pyrazolo[5,1-b]pyrimidin-7-yl]-(1-propylbutyl)amine
3-(6-dimethylamino-4-methyl-pyridin-3-yl)-N-heptan-4-yl-2,5-dimethyl-pyrazolo[5,1-b]pyrimidin-7-amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	corticotropin releasing hormone receptor 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	Get druggable targets OG5_130760	All targets in OG5_130760
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	Get druggable targets OG5_130760	All targets in OG5_130760
Schistosoma japonicum	IPR001879,Hormone receptor, extracellular,domain-containing	Get druggable targets OG5_130760	All targets in OG5_130760
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	Get druggable targets OG5_130760	All targets in OG5_130760
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130760	All targets in OG5_130760

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	corticotropin releasing hormone receptor 1	444 aa	445 aa	25.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0284	0.1791	0.5728
Toxoplasma gondii	cathepsin B	0.0432	0.2977	1
Echinococcus multilocularis	calpain 5	0.0284	0.1791	0.0719
Trypanosoma brucei	calpain-like protein, putative	0.0284	0.1791	0.5728
Loa Loa (eye worm)	hypothetical protein	0.1308	1	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0284	0.1791	0.1623
Echinococcus multilocularis	cathepsin b	0.1308	1	1
Trypanosoma cruzi	kinesin, putative	0.0198	0.1107	0.0925
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0432	0.2977	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0432	0.2977	1
Echinococcus multilocularis	cathepsin b	0.1308	1	1
Echinococcus multilocularis	calpain 7 (C02 family)	0.0284	0.1791	0.0719
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0284	0.1791	0.1623
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0284	0.1791	0.1623
Echinococcus granulosus	calpain 5	0.0284	0.1791	0.0719
Giardia lamblia	Cathepsin B precursor	0.0432	0.2977	0.5
Plasmodium falciparum	calpain	0.0085	0.0201	0.5
Echinococcus granulosus	calpain A	0.0789	0.5844	0.5302
Brugia malayi	calpain 7	0.0284	0.1791	0.1791
Trypanosoma cruzi	kinesin, putative	0.0198	0.1107	0.0925
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0284	0.1791	0.1623
Brugia malayi	calpain 5	0.0085	0.0201	0.0201
Echinococcus granulosus	calpain	0.0284	0.1791	0.0719
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0432	0.2977	0.2833
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0284	0.1791	0.5728
Brugia malayi	calpain 5	0.0198	0.1107	0.1107
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1308	1	1
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0284	0.1791	0.5728
Trypanosoma brucei	calpain-like protein, putative	0.0284	0.1791	0.5728
Echinococcus granulosus	calpain A	0.0284	0.1791	0.0719
Brugia malayi	calpain family protein 1	0.0752	0.5544	0.5544
Loa Loa (eye worm)	calpain	0.0284	0.1791	0.1791
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0284	0.1791	0.1623
Schistosoma mansoni	calpain C (C02 family)	0.0284	0.1791	0.1623
Trypanosoma brucei	antigen, putative	0.0284	0.1791	0.5728
Loa Loa (eye worm)	calpain family protein 1	0.0752	0.5544	0.5544
Echinococcus multilocularis	hypothetical protein	0.0284	0.1791	0.0719
Loa Loa (eye worm)	hypothetical protein	0.0667	0.4861	0.4861
Plasmodium vivax	calpain, putative	0.0284	0.1791	0.5
Brugia malayi	calpain family protein 1	0.0752	0.5544	0.5544
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0752	0.5544	0.5453
Loa Loa (eye worm)	hypothetical protein	0.0468	0.3271	0.3271
Schistosoma mansoni	calpain (C02 family)	0.0284	0.1791	0.1623
Loa Loa (eye worm)	calpain D	0.0085	0.0201	0.0201
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0284	0.1791	0.1623
Echinococcus granulosus	cathepsin b	0.1308	1	1
Echinococcus granulosus	cathepsin b	0.1308	1	1
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0789	0.5842	0.53
Echinococcus multilocularis	calpain	0.0284	0.1791	0.0719
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0284	0.1791	0.5728
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0789	0.5842	0.5757
Loa Loa (eye worm)	cathepsin B	0.0432	0.2977	0.2977
Loa Loa (eye worm)	hypothetical protein	0.0245	0.1484	0.1484
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0284	0.1791	0.5728
Echinococcus multilocularis	calpain A	0.0789	0.5844	0.5302
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0284	0.1791	0.1623
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0789	0.5842	0.5757
Loa Loa (eye worm)	hypothetical protein	0.0554	0.3954	0.3954
Echinococcus granulosus	calpain 7 C02 family	0.0284	0.1791	0.0719
Trypanosoma brucei	calpain-like protein, putative	0.0284	0.1791	0.5728
Loa Loa (eye worm)	calpain family protein 1	0.0554	0.3954	0.3954
Giardia lamblia	Cathepsin B precursor	0.0432	0.2977	0.5
Entamoeba histolytica	protein kinase, putative	0.0198	0.1107	1
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0284	0.1791	0.1623
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0245	0.1484	0.1484
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0201	0.0201
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0284	0.1791	0.1623
Echinococcus multilocularis	calpain family protein 1, d	0.0554	0.3954	0.3165
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0284	0.1791	0.1623
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0432	0.2977	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1308	1	1
Trypanosoma brucei	kinesin, putative	0.0198	0.1107	0.3266
Loa Loa (eye worm)	calpain 5	0.0198	0.1107	0.1107
Loa Loa (eye worm)	hypothetical protein	0.0752	0.5544	0.5544
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1308	1	1
Leishmania major	kinesin, putative	0.0198	0.1107	0.3266
Onchocerca volvulus		0.0468	0.3271	0.5
Brugia malayi	calpain D	0.0085	0.0201	0.0201
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1308	1	1
Schistosoma mansoni	calpain-7 (C02 family)	0.0284	0.1791	0.1623
Schistosoma mansoni	calpain-7 (C02 family)	0.0284	0.1791	0.1623
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0284	0.1791	0.1623
Giardia lamblia	Cathepsin B precursor	0.0432	0.2977	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0432	0.2977	0.2833
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1308	1	1
Entamoeba histolytica	calpain large subunit domain III containing protein	0.0198	0.1107	1
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0789	0.5842	0.53
Trypanosoma brucei	calpain-like protein, putative	0.0284	0.1791	0.5728

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 4.8 nM	Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor	ChEMBL.	15341493
Ki (binding)	= 4.8 nM	Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor	ChEMBL.	15341493

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: 11429341

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 328492