TDR Targets

Basic information

Technical information

TDR Targets ID: 1350510
Name: quinolin-8-yl 2-(4-chlorophenyl)acetate
MW: 297.736 | Formula: C17H12ClNO2
H donors: 0 H acceptors: 2 LogP: 4.16 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Oc1cccc2c1nccc2)Cc1ccc(cc1)Cl
InChi: 1S/C17H12ClNO2/c18-14-8-6-12(7-9-14)11-16(20)21-15-5-1-3-13-4-2-10-19-17(13)15/h1-10H,11H2
InChiKey: SWSSBWPHRGOYKW-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

8-quinolyl 2-(4-chlorophenyl)acetate
2-(4-chlorophenyl)acetic acid 8-quinolyl ester
quinolin-8-yl 2-(4-chlorophenyl)ethanoate
8-quinolinyl (4-chlorophenyl)acetate
MLS000577233
SMR000197341
STOCK3S-00312
ZINC00314771

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1798	0.3102
Chlamydia trachomatis	pyruvate kinase	0.0035	0.1044	0.5
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0021	0.0289	0.0258
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0921	0.1588
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0889	0.1534
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0921	0.0784
Plasmodium falciparum	pyruvate kinase	0.0035	0.1044	1
Brugia malayi	MH2 domain containing protein	0.0125	0.5795	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0289	0.0143
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0035	0.1044	1
Trypanosoma brucei	pyruvate kinase 1	0.0035	0.1044	1
Echinococcus multilocularis	pyruvate kinase	0.0035	0.1044	0.1016
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0289	0.0143
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0639	0.0609
Echinococcus granulosus	pyruvate kinase	0.0018	0.0148	0.0117
Loa Loa (eye worm)	pyruvate kinase	0.0035	0.1044	0.1802
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0031	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1647	0.2842
Brugia malayi	intermediate filament protein	0.0033	0.0921	0.1407
Echinococcus granulosus	histone lysine methyltransferase setb	0.0021	0.0289	0.0258
Echinococcus granulosus	pyruvate kinase	0.0035	0.1044	0.1016
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0921	0.1407
Schistosoma mansoni	zinc finger protein	0.0024	0.045	0.0306
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0021	0.0289	0.0258
Schistosoma mansoni	pyruvate kinase	0.0035	0.1044	0.091
Trypanosoma brucei	pyruvate kinase 1, putative	0.0035	0.1044	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0289	0.0143
Entamoeba histolytica	pyruvate kinase, putative	0.0024	0.0487	0.5
Loa Loa (eye worm)	pyruvate kinase	0.0035	0.1044	0.1802
Echinococcus multilocularis	zinc finger protein	0.0024	0.045	0.0419
Loa Loa (eye worm)	pyruvate kinase-PB	0.0024	0.0487	0.084
Echinococcus granulosus	zinc finger protein	0.0024	0.045	0.0419
Schistosoma mansoni	lamin	0.0033	0.0921	0.0784
Loa Loa (eye worm)	transcription factor SMAD2	0.0125	0.5795	1
Trichomonas vaginalis	pyruvate kinase, putative	0.0035	0.1044	0.5
Loa Loa (eye worm)	hypothetical protein	0.0085	0.3709	0.6399
Echinococcus multilocularis	lamin dm0	0.0033	0.0921	0.0892
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.3006	0.2984
Leishmania major	pyruvate kinase	0.0035	0.1044	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.1492	0.1465
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0517	0.0892
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0639	0.0609
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0123	0.0212
Schistosoma mansoni	pyruvate kinase	0.0035	0.1044	0.091
Schistosoma mansoni	hypothetical protein	0.0025	0.0517	0.0375
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.3006	0.2984
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1044	0.1802
Echinococcus multilocularis	pyruvate kinase	0.0028	0.0656	0.0627
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0921	0.1588
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0639	0.0498
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0035	0.1044	0.1625
Leishmania major	pyruvate kinase	0.0035	0.1044	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.192	0.3313
Loa Loa (eye worm)	pyruvate kinase	0.0035	0.1044	0.1802
Echinococcus multilocularis	pyruvate kinase	0.0035	0.1044	0.1016
Onchocerca volvulus	Pyruvate kinase homolog	0.0035	0.1044	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.1492	0.1465
Trichomonas vaginalis	pyruvate kinase, putative	0.0035	0.1044	0.5
Echinococcus multilocularis	musashi	0.0033	0.0921	0.0892
Echinococcus multilocularis	lamin	0.0033	0.0921	0.0892
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0021	0.0289	0.0258
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0289	0.0143
Onchocerca volvulus	Pyruvate kinase homolog	0.0035	0.1044	1
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0035	0.1044	0.5
Brugia malayi	PHD-finger family protein	0.003	0.079	0.1175
Echinococcus granulosus	intermediate filament protein	0.0033	0.0921	0.0892
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0487	0.084
Schistosoma mansoni	hypothetical protein	0.0205	1	1
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0035	0.1044	0.5
Schistosoma mansoni	hypothetical protein	0.0018	0.0177	0.003
Mycobacterium ulcerans	pyruvate kinase	0.0035	0.1044	0.5
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.0328	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0921	0.1588
Echinococcus granulosus	pyruvate kinase	0.0035	0.1044	0.1016
Toxoplasma gondii	pyruvate kinase PyK1	0.0035	0.1044	1
Brugia malayi	Bromodomain containing protein	0.0091	0.3981	0.6802
Schistosoma mansoni	zinc finger protein	0.0018	0.0177	0.003
Echinococcus multilocularis	pyruvate kinase	0.0018	0.0148	0.0117
Schistosoma mansoni	hypothetical protein	0.0205	1	1
Schistosoma mansoni	lamin	0.0033	0.0921	0.0784
Echinococcus multilocularis	pyruvate kinase	0.0018	0.0148	0.0117
Loa Loa (eye worm)	MH2 domain-containing protein	0.0125	0.5795	1
Echinococcus multilocularis	geminin	0.0205	1	1
Plasmodium vivax	pyruvate kinase, putative	0.0035	0.1044	1
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0035	0.1044	0.1625
Echinococcus granulosus	lamin dm0	0.0033	0.0921	0.0892
Echinococcus multilocularis	pyruvate kinase	0.0018	0.0148	0.0117
Giardia lamblia	Pyruvate kinase	0.0035	0.1044	1
Echinococcus granulosus	pyruvate kinase	0.0018	0.0148	0.0117
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0035	0.1044	1
Onchocerca volvulus	Pyruvate kinase homolog	0.0035	0.1044	1
Brugia malayi	Bromodomain containing protein	0.0046	0.1643	0.2679
Schistosoma mansoni	bromodomain containing protein	0.0076	0.3235	0.3133
Echinococcus granulosus	pyruvate kinase	0.0018	0.0148	0.0117
Echinococcus granulosus	lamin	0.0033	0.0921	0.0892
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0289	0.0498

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.4125 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.6169 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)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.9811 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	9.2 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)	10 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 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 (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	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: CHEMBL1447529

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 1350510