TDR Targets

Basic information

Technical information

TDR Targets ID: 1700866
Name: 2-chloro-N-(2-methylcyclohexyl)quinoline-4-ca rboxamide
MW: 302.799 | Formula: C17H19ClN2O
H donors: 1 H acceptors: 2 LogP: 4.68 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC1CCCCC1NC(=O)c1cc(Cl)nc2c1cccc2
InChi: 1S/C17H19ClN2O/c1-11-6-2-4-8-14(11)20-17(21)13-10-16(18)19-15-9-5-3-7-12(13)15/h3,5,7,9-11,14H,2,4,6,8H2,1H3,(H,20,21)
InChiKey: NDYPMLHZFXPOSI-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-chloro-N-(2-methylcyclohexyl)-4-quinolinecarboxamide
2-chloro-N-(2-methylcyclohexyl)cinchoninamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0351	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0384	0.0789
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0063	0.0648	0.1014
Schistosoma mansoni	hypothetical protein	0.024	0.6389	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0063	0.0648	0.1332
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0063	0.0648	0.1332
Onchocerca volvulus		0.0182	0.4523	0.5
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0063	0.0648	0.5
Echinococcus granulosus	tar DNA binding protein	0.0193	0.4864	1
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0063	0.0648	0.5
Schistosoma mansoni	hypothetical protein	0.0111	0.2198	0.344
Loa Loa (eye worm)	TAR-binding protein	0.0193	0.4864	0.4659
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0063	0.0648	0.1332
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0384	0.06
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0063	0.0648	0.5
Schistosoma mansoni	hypothetical protein	0.0111	0.2198	0.344
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0111	0.2198	0.4519
Loa Loa (eye worm)	hypothetical protein	0.0351	1	1
Echinococcus multilocularis	GPCR, family 2	0.0111	0.2198	0.4519
Echinococcus granulosus	GPCR family 2	0.0111	0.2198	0.4519
Loa Loa (eye worm)	RNA binding protein	0.0193	0.4864	0.4659
Echinococcus multilocularis	tar DNA binding protein	0.0193	0.4864	1
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0063	0.0648	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0384	0.0384
Brugia malayi	isocitrate dehydrogenase	0.0063	0.0648	0.0648
Brugia malayi	TAR-binding protein	0.0193	0.4864	0.4864
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0063	0.0648	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.4864	0.7613
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0063	0.0648	0.1332
Toxoplasma gondii	isocitrate dehydrogenase	0.0063	0.0648	0.5
Schistosoma mansoni	hypothetical protein	0.0111	0.2198	0.344
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0384	0.0789
Loa Loa (eye worm)	hypothetical protein	0.0182	0.4523	0.4305
Brugia malayi	hypothetical protein	0.0182	0.4523	0.4523
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0111	0.2198	0.4519
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0193	0.4864	0.4659
Echinococcus multilocularis	isocitrate dehydrogenase	0.0063	0.0648	0.1332
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0384	0.0789
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.4864	0.7613
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0111	0.2198	0.2198
Brugia malayi	RNA recognition motif domain containing protein	0.0193	0.4864	0.4864
Schistosoma mansoni	hypothetical protein	0.0111	0.2198	0.344
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0384	0.06
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.4864	0.7613
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0063	0.0648	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0384	0.06
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.4864	0.7613
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0111	0.2198	0.4519
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0111	0.2198	0.1887
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0351	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.4864	0.7613
Brugia malayi	latrophilin 2 splice variant baaae	0.024	0.6389	0.6389
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0384	0.0789
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0063	0.0648	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2198	0.1887
Brugia malayi	Isocitrate dehydrogenase	0.0063	0.0648	0.0648
Brugia malayi	Latrophilin receptor protein 2	0.0111	0.2198	0.2198
Brugia malayi	RNA binding protein	0.0193	0.4864	0.4864
Toxoplasma gondii	isocitrate dehydrogenase	0.0063	0.0648	0.5
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0063	0.0648	0.5
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0063	0.0648	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0111	0.2198	0.4519
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0063	0.0648	0.0275
Loa Loa (eye worm)	hypothetical protein	0.024	0.6389	0.6245

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	19.9526 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (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: CHEMBL2143793

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 1700866