TDR Targets

Basic information

Technical information

TDR Targets ID: 1449134
Name: 2-(2-cyclopentylethyl)-1H-quinazolin-4-one
MW: 242.316 | Formula: C15H18N2O
H donors: 1 H acceptors: 3 LogP: 4.37 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Oc1nc(CCC2CCCC2)nc2c1cccc2
InChi: 1S/C15H18N2O/c18-15-12-7-3-4-8-13(12)16-14(17-15)10-9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,17,18)
InChiKey: WOTLWHPWNALAJI-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

ASN 06988544
MLS000553524
SMR000171153
ZINC01325320
2-(2-Cyclopentyl-ethyl)-3H-quinazolin-4-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	protease m14 carboxypeptidase	0.0127	0.0091	0.0238
Trypanosoma brucei	Carboxypeptidase-like protein	0.0127	0.0091	0.5
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.0091	1
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0091	0.0314
Echinococcus multilocularis	geminin	0.0205	0.0659	0.1726
Echinococcus granulosus	Zinc carboxypeptidase family protein	0.0127	0.0091	0.0238
Echinococcus multilocularis		0.0127	0.0091	0.0238
Brugia malayi	Zinc carboxypeptidase family protein	0.0183	0.0499	1
Echinococcus granulosus	geminin	0.0205	0.0659	0.1726
Toxoplasma gondii	flagellar/basal body protein	0.0127	0.0091	0.0236
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.0091	1
Mycobacterium ulcerans	epoxide hydrolase EphA	0.1485	1	0.5
Trypanosoma brucei	metallo-peptidase, Clan MC, Family M14, putative	0.0127	0.0091	0.5
Onchocerca volvulus		0.0637	0.3814	1
Loa Loa (eye worm)	zinc carboxypeptidase	0.0127	0.0091	0.0314
Schistosoma mansoni	hypothetical protein	0.0205	0.0659	0.1726
Schistosoma mansoni	cathepsin D (A01 family)	0.0304	0.1383	0.3626
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0091	0.0314
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0127	0.0091	0.5
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14, putative	0.0127	0.0091	0.5
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0127	0.0091	0.5
Echinococcus multilocularis	cytosolic carboxypeptidase protein 5	0.0127	0.0091	0.0238
Toxoplasma gondii	zinc carboxypeptidase superfamily protein	0.0127	0.0091	0.0236
Trypanosoma brucei	metallo-peptidase, Clan MC, Family M14, putative	0.0127	0.0091	0.5
Loa Loa (eye worm)	hypothetical protein	0.0423	0.2254	0.7804
Schistosoma mansoni	family M14 non-peptidase homologue (M14 family)	0.0127	0.0091	0.0238
Onchocerca volvulus		0.0637	0.3814	1
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0091	0.0314
Trypanosoma cruzi	zinc carboxypeptidase, putative	0.0127	0.0091	0.5
Schistosoma mansoni	peptidase	0.0127	0.0091	0.0238
Loa Loa (eye worm)	hypothetical protein	0.051	0.2889	1
Plasmodium falciparum	plasmepsin I	0.0114	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0183	0.0499	0.1727
Echinococcus granulosus	biogenic amine 5HT receptor	0.0423	0.2254	0.591
Schistosoma mansoni	carboxypeptidase N (M14 family)	0.0127	0.0091	0.0238
Echinococcus granulosus	cytosolic carboxypeptidase 1	0.0127	0.0091	0.0238
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.0091	1
Toxoplasma gondii	zinc carboxypeptidase superfamily protein	0.0127	0.0091	0.0236
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0127	0.0091	0.5
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14	0.0127	0.0091	0.5
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0127	0.0091	0.5
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.0091	1
Schistosoma mansoni	hypothetical protein	0.0127	0.0091	0.0238
Plasmodium falciparum	plasmepsin IV	0.0114	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0091	0.0314
Schistosoma mansoni	hypothetical protein	0.0205	0.0659	0.1726
Toxoplasma gondii	PAN domain-containing protein	0.0641	0.3845	1
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0127	0.0091	0.5
Loa Loa (eye worm)	zinc carboxypeptidase	0.0127	0.0091	0.0314
Schistosoma mansoni	metallocarboxypeptidase D peptidase unit 2 (M14 family)	0.0127	0.0091	0.0238
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14, putative	0.0127	0.0091	0.5
Plasmodium falciparum	plasmepsin VI	0.0114	0	0.5
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.0091	1
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.0091	1
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0127	0.0091	0.5
Echinococcus granulosus	subfamily M14A unassigned peptidase	0.0637	0.3814	1
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0091	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0091	0.0314
Plasmodium falciparum	plasmepsin II	0.0114	0	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0423	0.2254	0.591
Brugia malayi	Zinc carboxypeptidase family protein	0.0183	0.0499	1
Onchocerca volvulus		0.0637	0.3814	1
Echinococcus multilocularis	serotonin receptor	0.0423	0.2254	0.591
Loa Loa (eye worm)	zinc carboxypeptidase	0.0127	0.0091	0.0314
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.0091	1
Toxoplasma gondii	PAN domain-containing protein	0.0641	0.3845	1
Toxoplasma gondii	zinc carboxypeptidase, putative	0.0127	0.0091	0.0236
Onchocerca volvulus		0.0637	0.3814	1
Trypanosoma cruzi	Carboxypeptidase-like protein	0.0127	0.0091	0.5
Echinococcus multilocularis	subfamily M14A unassigned peptidase	0.0637	0.3814	1
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0091	0.0314
Plasmodium vivax	hypothetical protein, conserved	0.0127	0.0091	1
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.0091	1
Schistosoma mansoni	peptidase	0.0127	0.0091	0.0238
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.0091	1
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.0091	1
Echinococcus multilocularis	serotonin receptor	0.0423	0.2254	0.591
Echinococcus multilocularis	Zinc carboxypeptidase family protein	0.0127	0.0091	0.0238
Schistosoma mansoni	subfamily M14A unassigned peptidase (M14 family)	0.0637	0.3814	1
Onchocerca volvulus	Carboxypeptidase D homolog	0.0183	0.0499	0.1096
Schistosoma mansoni	peptidase	0.0127	0.0091	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0423	0.2254	0.7804
Loa Loa (eye worm)	zinc carboxypeptidase	0.0183	0.0499	0.1727
Onchocerca volvulus	Subfamily M14A unassigned peptidase homolog	0.0637	0.3814	1
Echinococcus granulosus	cytosolic carboxypeptidase protein 5	0.0127	0.0091	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0091	0.0314
Schistosoma mansoni	cathepsin D (A01 family)	0.0304	0.1383	0.3626
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0127	0.0091	1
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0091	0.0314

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0046 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 7.9433 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	12.9953 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1583827

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1449134