TDR Targets

Basic information

Technical information

TDR Targets ID: 1612692
Name: 4-(isoquinolin-2-ium-2-ylmethyl)quinoline iod ide
MW: 398.24 | Formula: C19H15IN2
H donors: 0 H acceptors: 1 LogP: 4.96 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc2c(c1)c[n+](cc2)Cc1ccnc2c1cccc2.[I-]
InChi: 1S/C19H15N2.HI/c1-2-6-16-13-21(12-10-15(16)5-1)14-17-9-11-20-19-8-4-3-7-18(17)19;/h1-13H,14H2;1H/q+1;/p-1
InChiKey: QGJNITKCTSHVSP-UHFFFAOYSA-M

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

4-(2-isoquinolin-2-iumylmethyl)quinoline iodide
2-(4-QUINOLYLMETHYL)ISOQUINOLINIUM IODIDE
NSC2518

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
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0013	0.3987
Echinococcus granulosus	cathepsin L cysteine protease	0.0013	0.0004	0.0032
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0026	0.0031	0.0273
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0013	0.0014
Loa Loa (eye worm)	cysteine protease	0.0026	0.0031	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0031	1
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0031	1
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0013	0.3987
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0031	0.0045
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0018	0.0013	0.3987
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0031	0.0045
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0031	0.0045
Echinococcus granulosus	neuropeptide s receptor	0.0539	0.1149	1
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0031	1
Onchocerca volvulus		0.0026	0.0031	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0031	1
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.4596	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0026	0.0031	0.0028
Onchocerca volvulus		0.0026	0.0031	1
Brugia malayi	cathepsin L-like precursor	0.0018	0.0013	0.3987
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0031	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0026	0.0031	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0013	0.3987
Echinococcus multilocularis	neuropeptide s receptor	0.0539	0.1149	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0031	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0539	0.1149	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0031	0.0045
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0031	0.0045
Brugia malayi	Papain family cysteine protease containing protein	0.0013	0.0004	0.1181
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.0031	1
Leishmania major	cathepsin L-like protease	0.0026	0.0031	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.0031	1
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0013	0.3987
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0026	0.0031	0.0045
Leishmania major	cathepsin L-like protease	0.0026	0.0031	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.0031	1
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0031	1
Toxoplasma gondii	cathepsin CPC1	0.4596	1	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0026	0.0031	0.0028
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0013	0.0004	0.0004
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0031	0.0045
Onchocerca volvulus		0.0026	0.0031	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0013	0.0004	0.0004
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0031	1
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0031	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0031	0.0045
Loa Loa (eye worm)	fibroinase	0.0026	0.0031	1
Echinococcus granulosus	cathepsin l1	0.0018	0.0013	0.0109
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0031	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0031	1
Echinococcus granulosus	cysteine protease	0.0013	0.0004	0.0032
Schistosoma mansoni	cathepsin F (C01 family)	0.0026	0.0031	0.0031
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0026	0.0031	1
Loa Loa (eye worm)	ctsf protein	0.0026	0.0031	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0031	0.0045
Onchocerca volvulus		0.0026	0.0031	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0031	0.0045
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.1747	0.3785	0.3783
Onchocerca volvulus	Cathepsin L homolog	0.0026	0.0031	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0031	0.0045
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0026	0.0031	0.0273
Toxoplasma gondii	preprocathepsin c precursor, putative	0.4596	1	1
Echinococcus granulosus	neuropeptide receptor A26	0.0539	0.1149	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0026	0.0031	1
Plasmodium vivax	vivapain-2	0.0026	0.0031	0.0028
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0031	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0013	0.3987
Leishmania major	cathepsin L-like protease	0.0026	0.0031	0.5
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.4596	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0031	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0031	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0026	0.0031	0.0273
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.2854	0.62	1
Onchocerca volvulus		0.0026	0.0031	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0031	0.0045
Plasmodium vivax	vivapain-2	0.0026	0.0031	0.0028
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0031	0.0045
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0031	0.0045
Echinococcus multilocularis	cathepsin L	0.0013	0.0004	0.0032
Schistosoma mansoni	cathepsin F (C01 family)	0.0026	0.0031	0.0031
Entamoeba histolytica	cysteine proteinase, putative	0.0026	0.0031	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0031	0.0045
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0013	0.0013
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.0013	0.3182
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0026	0.0031	0.0028
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0031	0.0045
Leishmania major	cathepsin L-like protease	0.0026	0.0031	0.5
Onchocerca volvulus		0.0018	0.0013	0.3987
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0031	0.0045
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0018	0.0013	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0031	0.0045
Brugia malayi	Papain family cysteine protease containing protein	0.0013	0.0004	0.1181
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.1747	0.3785	0.3783
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0013	0.0004	0.0004
Trypanosoma cruzi	cruzipain precursor, putative	0.0026	0.0031	1
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.4596	1	1
Onchocerca volvulus		0.0026	0.0031	1
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.4596	1	1
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.4596	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0026	0.0031	1
Echinococcus multilocularis	cysteine protease	0.0026	0.0031	0.0273
Leishmania major	cathepsin L-like protease	0.0026	0.0031	0.5
Echinococcus granulosus	cathepsin L	0.0013	0.0004	0.0032
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0031	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0031	0.0045
Brugia malayi	Papain family cysteine protease containing protein	0.0026	0.0031	1
Echinococcus multilocularis	cysteine protease	0.0026	0.0031	0.0273
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0031	0.0045
Toxoplasma gondii	cathepsin CPC2	0.1747	0.3785	0.3765
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.0031	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0031	0.0045
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0031	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0026	0.0031	0.0273
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0031	0.0045
Onchocerca volvulus		0.0026	0.0031	1
Echinococcus granulosus	cathepsin l1	0.0026	0.0031	0.0273
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.0031	1
Leishmania major	cathepsin L-like protease	0.0026	0.0031	0.5
Entamoeba histolytica	cysteine protease, putative	0.0026	0.0031	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0026	0.0031	0.0273
Leishmania major	cysteine peptidase A (CPA)	0.0026	0.0031	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0026	0.0031	1
Leishmania major	cathepsin L-like protease	0.0026	0.0031	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0026	0.0031	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0031	1
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0031	1
Onchocerca volvulus	Cathepsin F homolog	0.0026	0.0031	1
Leishmania major	cathepsin L-like protease	0.0026	0.0031	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.0031	0.0045
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0013	0.0014

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.369	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.01	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1972349

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1612692