TDR Targets

Basic information

Technical information

TDR Targets ID: 450423
Name: 2-(4,5-dihydro-1H-imidazol-2-yl)benzimidazolo [1,2-a]quinoline hydrochloride
MW: 322.792 | Formula: C18H15ClN4
H donors: 1 H acceptors: 1 LogP: 4.29 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: C1CN=C(N1)c1ccc2c(c1)n1c(cc2)nc2c1cccc2.Cl
InChi: 1S/C18H14N4.ClH/c1-2-4-15-14(3-1)21-17-8-7-12-5-6-13(11-16(12)22(15)17)18-19-9-10-20-18;/h1-8,11H,9-10H2,(H,19,20);1H
InChiKey: OGQWIYKRWLRTEY-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-(2-imidazolin-2-yl)benzimidazolo[1,2-a]quinoline hydrochloride
2-(4,5-dihydro-1H-imidazol-2-yl)quinolino[1,2-a]benzimidazole hydrochloride

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
Schistosoma mansoni	hypothetical protein	0.0326	1	1
Trypanosoma cruzi	cdc2-related kinase 1	0.0235	0.712	0.895
Treponema pallidum	ATP-dependent DNA helicase	0.001	0.0012	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0031	0.0019
Trichomonas vaginalis	DNA helicase recq1, putative	0.0048	0.1211	0.0983
Trypanosoma brucei	cdc2-related kinase 3	0.0235	0.712	0.8945
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0235	0.712	0.8885
Giardia lamblia	Kinase, CMGC GSK	0.0261	0.7953	1
Loa Loa (eye worm)	hypothetical protein	0.0261	0.7936	0.7933
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0261	0.7953	1
Entamoeba histolytica	hypothetical protein	0.01	0.2838	0.3568
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.1224	0.1197
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0031	0.0019
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0031	0.0019
Echinococcus multilocularis	muscleblind protein 1	0.0158	0.4695	0.4678
Echinococcus granulosus	cyclin dependent kinase 1	0.0235	0.712	0.7111
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0031	0.0019
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.1224	0.1506
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0261	0.7953	0.7951
Trypanosoma cruzi	cdc2-related kinase 3	0.0235	0.712	0.895
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0031	0.0019
Echinococcus multilocularis	cyclin dependent kinase	0.0235	0.712	0.7111
Entamoeba histolytica	recQ family helicase, putative	0.0026	0.0504	0.0633
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0261	0.7953	0.7951
Echinococcus multilocularis	protein kinase shaggy	0.0261	0.7953	0.7947
Entamoeba histolytica	protein kinase domain containing protein	0.01	0.2838	0.3568
Trypanosoma cruzi	cdc2-related kinase 1	0.0235	0.712	0.895
Trichomonas vaginalis	CMGC family protein kinase	0.0235	0.712	0.8885
Entamoeba histolytica	protein kinase, putative	0.0261	0.7953	1
Brugia malayi	Protein kinase domain containing protein	0.01	0.2838	0.3543
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0658	0.0773
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.0476	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0094	0.2666	0.2657
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0261	0.7953	0.7951
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0031	0.0019
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0031	0.0019
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0261	0.7953	0.7947
Trichomonas vaginalis	DNA helicase recq, putative	0.0048	0.1211	0.0983
Trichomonas vaginalis	CMGC family protein kinase	0.0261	0.7953	1
Entamoeba histolytica	cell division protein kinase 2, putative	0.0235	0.712	0.8952
Entamoeba histolytica	protein kinase domain containing protein	0.0261	0.7953	1
Entamoeba histolytica	cell division protein kinase 2, putative	0.0235	0.712	0.8952
Brugia malayi	Muscleblind-like protein	0.0158	0.4695	0.5887
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.01	0.2838	0.3529
Brugia malayi	RNA, U transporter 1	0.0087	0.2438	0.3039
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.1224	0.1214
Loa Loa (eye worm)	hypothetical protein	0.0158	0.4695	0.4688
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0235	0.712	0.7116
Echinococcus granulosus	bloom syndrome protein	0.0048	0.1211	0.1184
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0031	0.0019
Echinococcus granulosus	cyclin dependent kinase 5	0.0235	0.712	0.7111
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0031	0.0019
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0031	0.0019
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.002	0.0319	0.0289
Brugia malayi	photoreceptor-specific nuclear receptor	0.0261	0.7936	0.9978
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.1224	0.1214
Brugia malayi	Protein kinase domain containing protein	0.0235	0.712	0.8947
Plasmodium falciparum	importin beta, putative	0.0031	0.0658	0.0444
Loa Loa (eye worm)	RecQ helicase	0.0048	0.1211	0.12
Loa Loa (eye worm)	hypothetical protein	0.0158	0.4695	0.4688
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0032	0.0707	0.0875
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0319	0.0364
Schistosoma mansoni	blooms syndrome DNA helicase	0.0038	0.0892	0.088
Echinococcus multilocularis	dual specificity	0.01	0.2838	0.2815
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0031	0.0019
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0031	0.0019
Brugia malayi	Bloom's syndrome protein homolog	0.0048	0.1211	0.1489
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0032	0.0719	0.0904
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0031	0.0019
Brugia malayi	cell division control protein 2 homolog	0.0235	0.712	0.8947
Plasmodium vivax	protein kinase Crk2	0.0235	0.712	0.8952
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.01	0.2838	0.3558
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0031	0.0019
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.002	0.0319	0.0289
Giardia lamblia	Kinase, CMGC CDK	0.0235	0.712	0.8908
Schistosoma mansoni	serine/threonine protein kinase	0.0235	0.712	0.7116
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.1224	0.1214
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0031	0.0019
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0261	0.7953	1
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0235	0.712	0.895
Trypanosoma cruzi	cdc2-related kinase 3	0.0235	0.712	0.895
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0031	0.0019
Echinococcus multilocularis	bloom syndrome protein	0.0048	0.1211	0.1184
Entamoeba histolytica	protein kinase, putative	0.01	0.2838	0.3568
Giardia lamblia	Kinase, CMGC GSK	0.0261	0.7953	1
Onchocerca volvulus		0.0261	0.7953	1
Plasmodium falciparum	glycogen synthase kinase 3	0.0261	0.7953	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0031	0.0019
Brugia malayi	intracellular kinase	0.0261	0.7953	1
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0235	0.712	0.7111
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.01	0.2838	0.3558
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0031	0.0019
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0658	0.0773
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0031	0.0019
Entamoeba histolytica	recQ family DNA helicase	0.001	0.0012	0.0015
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0235	0.712	0.7116
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.1224	0.1214
Brugia malayi	Importin beta-1 subunit	0.0031	0.0658	0.0792
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.1224	0.1197
Loa Loa (eye worm)	hypothetical protein	0.0094	0.2666	0.2657
Echinococcus multilocularis	muscleblind protein	0.0158	0.4695	0.4678
Echinococcus granulosus	dual specificity	0.01	0.2838	0.2815
Plasmodium falciparum	protein kinase 5	0.0235	0.712	0.8908
Loa Loa (eye worm)	hypothetical protein	0.002	0.0319	0.0308
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0319	0.0364
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.002	0.0319	0.0289
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0031	0.0019
Schistosoma mansoni	DNA helicase recq5	0.002	0.0319	0.0308
Echinococcus multilocularis	cyclin dependent kinase 1	0.0235	0.712	0.7111
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0658	0.0828
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0031	0.0019
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0235	0.712	0.7116
Entamoeba histolytica	protein kinase domain containing protein	0.0261	0.7953	1
Schistosoma mansoni	DNA helicase recq1	0.002	0.0319	0.0308
Echinococcus multilocularis	cyclin dependent kinase 1	0.0235	0.712	0.7111
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0261	0.7953	1
Echinococcus multilocularis	cyclin dependent kinase 5	0.0235	0.712	0.7111
Trichomonas vaginalis	CMGC family protein kinase	0.0261	0.7953	1
Schistosoma mansoni	serine/threonine protein kinase	0.01	0.2838	0.2829
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0235	0.712	0.8885
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.1224	0.1197
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0658	0.0647
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0326	1	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0319	0.0387
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.01	0.2838	0.2829
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0031	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0146	0.4309	0.4302
Giardia lamblia	Kinase, CMGC CDK	0.0235	0.712	0.8908
Echinococcus granulosus	protein kinase shaggy	0.0261	0.7953	0.7947
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0026	0.0504	0.0619
Schistosoma mansoni	serine/threonine protein kinase	0.0235	0.712	0.7116
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.1224	0.1197
Entamoeba histolytica	protein kinase, putative	0.01	0.2838	0.3568
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0261	0.7953	1
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0042	0.1027	0.0926
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0031	0.0019
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0031	0.0019
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0031	0.0019
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.01	0.2838	0.3159
Loa Loa (eye worm)	hypothetical protein	0.023	0.6947	0.6944
Echinococcus granulosus	muscleblind protein	0.0158	0.4695	0.4678
Schistosoma mansoni	importin beta-1	0.0031	0.0658	0.0647
Schistosoma mansoni	coup transcription factor	0.0011	0.0031	0.0019
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0026	0.0504	0.0577
Trichomonas vaginalis	CMGC family protein kinase	0.0235	0.712	0.8885
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0319	0.0387
Echinococcus granulosus	cyclin dependent kinase	0.0235	0.712	0.7111
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0031	0.0019
Toxoplasma gondii	HEAT repeat-containing protein	0.0031	0.0658	0.0814
Entamoeba histolytica	hypothetical protein	0.0025	0.0476	0.0598
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0261	0.7953	0.7947
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0026	0.0504	0.0038
Echinococcus multilocularis	snurportin 1	0.0326	1	1
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.002	0.0319	0.0308
Trichomonas vaginalis	CMGC family protein kinase	0.0235	0.712	0.8885
Trypanosoma brucei	protein kinase, putative	0.0261	0.7953	1
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.002	0.0319	0.0289
Trichomonas vaginalis	DNA helicase recq, putative	0.0026	0.0504	0.0038
Trypanosoma brucei	cdc2-related kinase 1	0.0235	0.712	0.8945
Echinococcus granulosus	importin subunit beta 1	0.0031	0.0658	0.0629
Echinococcus multilocularis	importin subunit beta 1	0.0031	0.0658	0.0629
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0031	0.0019

Activities

Activity type	Activity value	Assay description	Source	Reference
deltaTm (binding)	= 3.6 degrees C	Binding affinity to calf thymus DNA by thermal melting temperature assay	ChEMBL.	17935309
IC50 (functional)	= 1.4 uM	Antitumor activity against human SW620 cells after 72 hrs by MTT assay	ChEMBL.	17935309
IC50 (functional)	= 1.4 uM	Antitumor activity against human SW620 cells after 72 hrs by MTT assay	ChEMBL.	17935309
IC50 (functional)	= 2.4 uM	Antitumor activity against human Hep2 cells after 72 hrs by MTT assay	ChEMBL.	17935309
IC50 (functional)	= 2.4 uM	Antitumor activity against human Hep2 cells after 72 hrs by MTT assay	ChEMBL.	17935309
IC50 (functional)	= 5.3 uM	Antitumor activity against human MCF7 cells after 72 hrs by MTT assay	ChEMBL.	17935309
IC50 (functional)	= 5.3 uM	Antitumor activity against human MCF7 cells after 72 hrs by MTT assay	ChEMBL.	17935309
IC50 (functional)	= 5.6 uM	Antitumor activity against human MiaPaCa2 cells after 72 hrs by MTT assay	ChEMBL.	17935309
IC50 (functional)	= 5.6 uM	Antitumor activity against human MiaPaCa2 cells after 72 hrs by MTT assay	ChEMBL.	17935309
IC50 (functional)	= 7 uM	Antitumor activity against human HeLa cells after 72 hrs by MTT assay	ChEMBL.	17935309
IC50 (functional)	= 7 uM	Antitumor activity against human HeLa cells after 72 hrs by MTT assay	ChEMBL.	17935309
IC50 (functional)	= 7.8 uM	Antiproliferative activity against human WI39 fibroblast after 72 hrs by MTT assay	ChEMBL.	17935309

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	17935309

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: 23656281

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 450423