TDR Targets

Basic information

Technical information

TDR Targets ID: 447704
Name: 2-benzamido-N-phenylquinazoline-4-carboxamide
MW: 368.388 | Formula: C22H16N4O2
H donors: 2 H acceptors: 4 LogP: 3.88 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccccc1)Nc1nc2ccccc2c(n1)C(=O)Nc1ccccc1
InChi: 1S/C22H16N4O2/c27-20(15-9-3-1-4-10-15)26-22-24-18-14-8-7-13-17(18)19(25-22)21(28)23-16-11-5-2-6-12-16/h1-14H,(H,23,28)(H,24,25,26,27)
InChiKey: RQQPFMNLXURQFV-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

2-benzamido-N-phenyl-quinazoline-4-carboxamide
2-benzamido-N-phenyl-4-quinazolinecarboxamide
2-(benzoylamino)-N-phenylquinazoline-4-carboxamide
2-(benzoylamino)-N-phenyl-quinazoline-4-carboxamide
2-[(oxo-phenylmethyl)amino]-N-phenyl-4-quinazolinecarboxamide
N-phenyl-2-(phenylcarbonylamino)quinazoline-4-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	adenosine A3 receptor	Starlite/ChEMBL	References

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
Loa Loa (eye worm)	cysteine protease	0.007	0.2901	0.2179
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.2901	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.2901	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.2901	0.2179
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.007	0.2901	1
Leishmania major	cathepsin L-like protease	0.007	0.2901	1
Echinococcus multilocularis	cysteine protease	0.007	0.2901	0.2901
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.007	0.2901	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.007	0.2901	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0048	0.0923	0.0923
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.007	0.2901	1
Onchocerca volvulus		0.007	0.2901	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.007	0.2901	1
Giardia lamblia	Cathepsin B precursor	0.0057	0.1727	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.2901	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.007	0.2901	1
Entamoeba histolytica	cysteine protease, putative	0.007	0.2901	1
Onchocerca volvulus		0.007	0.2901	1
Echinococcus granulosus	cathepsin b	0.0148	1	1
Plasmodium vivax	vivapain-2	0.007	0.2901	1
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.2901	0.2901
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0148	1	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.007	0.2901	1
Giardia lamblia	Cathepsin B precursor	0.0057	0.1727	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.007	0.2901	1
Brugia malayi	Papain family cysteine protease containing protein	0.007	0.2901	0.2901
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.007	0.2901	1
Leishmania major	cathepsin L-like protease	0.007	0.2901	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.2901	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0057	0.1727	0.5953
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.007	0.2901	1
Brugia malayi	Cathepsin L-like precursor	0.007	0.2901	0.2901
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.007	0.2901	1
Echinococcus multilocularis	cathepsin b	0.0148	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0148	1	1
Brugia malayi	Cathepsin L-like precursor	0.007	0.2901	0.2901
Brugia malayi	cathepsin L-like precursor	0.0048	0.0923	0.0923
Brugia malayi	Cathepsin L-like precursor	0.007	0.2901	0.2901
Loa Loa (eye worm)	hypothetical protein	0.0148	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0048	0.0923	0.0923
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.007	0.2901	0.2179
Echinococcus granulosus	cathepsin l cysteine peptidase	0.007	0.2901	0.2901
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0057	0.1727	0.1727
Leishmania major	cathepsin L-like protease	0.007	0.2901	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.2901	1
Giardia lamblia	Cathepsin B precursor	0.0057	0.1727	0.5
Brugia malayi	Cathepsin L-like precursor	0.007	0.2901	0.2901
Onchocerca volvulus		0.007	0.2901	1
Onchocerca volvulus	Cathepsin L homolog	0.007	0.2901	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.007	0.2901	1
Echinococcus multilocularis	cathepsin b	0.0148	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.007	0.2901	0.2901
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0057	0.1727	0.5953
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.007	0.2901	1
Schistosoma mansoni	cathepsin F (C01 family)	0.007	0.2901	0.2901
Onchocerca volvulus		0.007	0.2901	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.0923	0.3182
Onchocerca volvulus		0.007	0.2901	1
Loa Loa (eye worm)	ctsf protein	0.007	0.2901	0.2179
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.007	0.2901	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0057	0.1727	0.1727
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.2901	1
Leishmania major	cathepsin L-like protease	0.007	0.2901	1
Toxoplasma gondii	cathepsin CPL	0.007	0.2901	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0048	0.0923	0.0923
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0148	1	1
Onchocerca volvulus	Cathepsin L homolog	0.007	0.2901	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.2901	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.007	0.2901	1
Leishmania major	cysteine peptidase A (CPA)	0.007	0.2901	1
Echinococcus multilocularis	cysteine protease	0.007	0.2901	0.2901
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.007	0.2901	0.2179
Brugia malayi	Cathepsin L-like precursor	0.0048	0.0923	0.0923
Brugia malayi	Cathepsin L-like precursor	0.0048	0.0923	0.0923
Plasmodium vivax	vivapain-2	0.007	0.2901	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.007	0.2901	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.007	0.2901	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.2901	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.007	0.2901	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.007	0.2901	0.2901
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.2901	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.007	0.2901	0.2901
Onchocerca volvulus		0.007	0.2901	1
Entamoeba histolytica	cysteine proteinase, putative	0.0048	0.0923	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.007	0.2901	1
Brugia malayi	Cathepsin L-like precursor	0.007	0.2901	0.2901
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.007	0.2901	1
Entamoeba histolytica	cysteine proteinase, putative	0.007	0.2901	1
Echinococcus granulosus	cathepsin b	0.0148	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.007	0.2901	1
Leishmania major	cathepsin L-like protease	0.007	0.2901	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.007	0.2901	0.2901
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.007	0.2901	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.007	0.2901	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0148	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.007	0.2901	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.0923	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.2901	1
Leishmania major	cathepsin L-like protease	0.007	0.2901	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.007	0.2901	1
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.2901	0.2901
Loa Loa (eye worm)	cathepsin B	0.0057	0.1727	0.0885
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.2901	1
Onchocerca volvulus		0.007	0.2901	1
Loa Loa (eye worm)	fibroinase	0.007	0.2901	0.2179
Leishmania major	cathepsin L-like protease	0.007	0.2901	1
Leishmania major	cathepsin L-like protease	0.007	0.2901	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.007	0.2901	0.2901
Echinococcus multilocularis	cathepsin L cysteine protease	0.007	0.2901	0.2901
Echinococcus granulosus	cathepsin l1	0.007	0.2901	0.2901
Echinococcus granulosus	cathepsin l1	0.0048	0.0923	0.0923
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.007	0.2901	1
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.2901	0.2901
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.007	0.2901	1
Brugia malayi	Cathepsin L-like precursor	0.007	0.2901	0.2901
Onchocerca volvulus	Cathepsin F homolog	0.007	0.2901	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.007	0.2901	1
Trypanosoma cruzi	cruzipain precursor, putative	0.007	0.2901	0.2901
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.2901	0.2901
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.007	0.2901	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0148	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 7 %	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes at 1 uM	ChEMBL.	18047262
Activity (binding)	= 7 %	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes at 1 uM	ChEMBL.	18047262
Activity (binding)	= 10 %	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes at 1 uM	ChEMBL.	18047262
Activity (binding)	= 10 %	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes at 1 uM	ChEMBL.	18047262
Inhibition (functional)	= 3 %	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP levels at 1 uM	ChEMBL.	18047262
Inhibition (functional)	= 3 %	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP levels at 1 uM	ChEMBL.	18047262
Ki (binding)	= 182 nM	Displacement of [125I]ABMECA from human adenosine A3 receptor expressed in CHO cell membranes	ChEMBL.	18047262
Ki (binding)	= 182 nM	Displacement of [125I]ABMECA from human adenosine A3 receptor expressed in CHO cell membranes	ChEMBL.	18047262

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: CHEMBL239194
PubChem: 24749708

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 447704