TDR Targets

Basic information

Technical information

TDR Targets ID: 15014
Name: (9E)-4-oxo-9-(phenylhydrazinylidene)-7,8-dihy dro-6H-pyrido[1,2-a]pyrimidine-3-carboxylic a cid
MW: 298.297 | Formula: C15H14N4O3
H donors: 2 H acceptors: 3 LogP: 1.84 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)c1cnc2n(c1=O)CCC/C/2=N\Nc1ccccc1
InChi: 1S/C15H14N4O3/c20-14-11(15(21)22)9-16-13-12(7-4-8-19(13)14)18-17-10-5-2-1-3-6-10/h1-3,5-6,9,17H,4,7-8H2,(H,21,22)/b18-12+
InChiKey: MPCOAVLSAXRLRS-LDADJPATSA-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

(9E)-4-oxo-9-(phenylhydrazono)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylic acid
(9E)-4-keto-9-(phenylhydrazono)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylic acid

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
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.021	1
Echinococcus granulosus	cathepsin l1	0.0044	0.0067	0.0067
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.021	1
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0067	0.0155
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.021	1
Brugia malayi	Cathepsin L-like precursor	0.0066	0.021	0.0488
Schistosoma mansoni	peptidylglycine monooxygenase	0.0365	0.2186	0.5068
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.021	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0066	0.021	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.021	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0365	0.2186	0.499
Schistosoma mansoni	peptidyl-glycine monooxygenase	0.0687	0.4314	1
Leishmania major	cathepsin L-like protease	0.0066	0.021	0.5
Echinococcus granulosus	peptidyl glycine alpha amidating monooxygenase	0.0687	0.4314	0.4314
Echinococcus multilocularis	peptidyl glycine alpha amidating monooxygenase	0.0687	0.4314	0.4314
Toxoplasma gondii	cathepsin CPL	0.0066	0.021	0.5
Echinococcus multilocularis	cathepsin L cysteine protease	0.0066	0.021	0.021
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.021	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0066	0.021	1
Onchocerca volvulus	Cathepsin F homolog	0.0066	0.021	1
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0067	0.0155
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.021	1
Onchocerca volvulus		0.0066	0.021	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.021	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.021	1
Brugia malayi	Cathepsin L-like precursor	0.0066	0.021	0.0488
Onchocerca volvulus		0.0066	0.021	1
Leishmania major	cathepsin L-like protease	0.0066	0.021	0.5
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0687	0.4314	1
Onchocerca volvulus		0.0066	0.021	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0066	0.021	0.0488
Echinococcus multilocularis	cysteine protease	0.0066	0.021	0.021
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.021	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.021	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.021	1
Brugia malayi	Cathepsin L-like precursor	0.0066	0.021	0.0488
Schistosoma mansoni	cathepsin F (C01 family)	0.0066	0.021	0.0488
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0365	0.2186	0.5068
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.021	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.021	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.021	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.021	1
Plasmodium vivax	vivapain-2	0.0066	0.021	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0066	0.021	1
Onchocerca volvulus	Cathepsin L homolog	0.0066	0.021	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0066	0.021	0.0338
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.021	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.021	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.021	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.021	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0044	0.0067	0.3182
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0066	0.021	0.021
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0066	0.021	0.0338
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.021	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.021	1
Brugia malayi	Papain family cysteine protease containing protein	0.0066	0.021	0.0488
Plasmodium vivax	vivapain-2	0.0066	0.021	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.021	1
Schistosoma mansoni	dopamine-beta-monooxygenase	0.0365	0.2186	0.5068
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0066	0.021	1
Leishmania major	cathepsin L-like protease	0.0066	0.021	0.5
Loa Loa (eye worm)	ctsf protein	0.0066	0.021	0.0338
Onchocerca volvulus		0.0066	0.021	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0066	0.021	0.021
Leishmania major	cathepsin L-like protease	0.0066	0.021	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.021	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0044	0.0067	0.0155
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.021	1
Loa Loa (eye worm)	hypothetical protein	0.0687	0.4314	1
Onchocerca volvulus		0.0066	0.021	1
Loa Loa (eye worm)	cysteine protease	0.0066	0.021	0.0338
Leishmania major	cathepsin L-like protease	0.0066	0.021	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.021	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.021	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.021	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.021	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.021	1
Onchocerca volvulus	Cathepsin L homolog	0.0066	0.021	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0066	0.021	0.021
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.1549	1	1
Onchocerca volvulus		0.0066	0.021	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0067	0.3182
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein	0.0185	0.0999	0.2317
Leishmania major	cathepsin L-like protease	0.0066	0.021	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.021	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0066	0.021	0.021
Leishmania major	cathepsin L-like protease	0.0066	0.021	0.5
Echinococcus multilocularis	cysteine protease	0.0066	0.021	0.021
Entamoeba histolytica	cysteine proteinase, putative	0.0066	0.021	1
Entamoeba histolytica	cysteine proteinase, putative	0.0044	0.0067	0.3182
Leishmania major	cysteine peptidase A (CPA)	0.0066	0.021	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0066	0.021	1
Loa Loa (eye worm)	fibroinase	0.0066	0.021	0.0338
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0066	0.021	1
Onchocerca volvulus		0.0066	0.021	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.021	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0044	0.0067	0.0155
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.021	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.021	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0067	0.3182
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0066	0.021	0.021
Entamoeba histolytica	cysteine protease, putative	0.0066	0.021	1
Brugia malayi	Cathepsin L-like precursor	0.0066	0.021	0.0488
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.021	1
Brugia malayi	Cathepsin L-like precursor	0.0066	0.021	0.0488
Echinococcus granulosus	cathepsin l1	0.0066	0.021	0.021
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.018	0.0963	0.2233
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0066	0.021	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.021	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.021	1
Brugia malayi	Cathepsin L-like precursor	0.0066	0.021	0.0488
Brugia malayi	cathepsin L-like precursor	0.0044	0.0067	0.0155
Leishmania major	cathepsin L-like protease	0.0066	0.021	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.021	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.021	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 2.9 uM l-1	Inhibition of histamine release from sensitized rat mast cells in vitro	ChEMBL.	6183427
ID50 (functional)	= 31.6 uM kg-1	Inhibition of rat passive cutaneous anaphylaxis (PCA) reaction after intravenous administration	ChEMBL.	6183427
ID50 (functional)	> 100 uM kg-1	Inhibition of rat passive cutaneous anaphylaxis(PCA) reaction was determined after oral administration	ChEMBL.	6183427

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: CHEMBL274697
PubChem: 12823344

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 15014