TDR Targets

Basic information

Technical information

TDR Targets ID: 1534998
Name: (2-methylquinolin-8-yl) (Z)-3-phenylprop-2-en oate
MW: 289.328 | Formula: C19H15NO2
H donors: 0 H acceptors: 2 LogP: 4.43 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Oc1cccc2c1nc(C)cc2)/C=C\c1ccccc1
InChi: 1S/C19H15NO2/c1-14-10-12-16-8-5-9-17(19(16)20-14)22-18(21)13-11-15-6-3-2-4-7-15/h2-13H,1H3/b13-11-
InChiKey: JHEYWNDFLNTDMS-QBFSEMIESA-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-methyl-8-quinolyl) (Z)-3-phenylprop-2-enoate
(Z)-3-phenylprop-2-enoic acid (2-methyl-8-quinolyl) ester
(Z)-3-phenylacrylic acid (2-methyl-8-quinolyl) ester
MLS000765829
SMR000278935
AG-690/12893493
ZINC04859616
3-Phenyl-acrylic acid 2-methyl-quinolin-8-yl ester
BAS 01062332

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific demethylase 4A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus granulosus	Transcription factor JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Brugia malayi	jmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma mansoni	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Loa Loa (eye worm)	jmjC domain-containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus granulosus	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	JmjC domain-containing histone demethylation protein 3C, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	Probable JmjC domain-containing histone demethylation protein 3B, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	glucosylceramidase, putative	0.0199	0.1289	0.6422
Schistosoma mansoni	jumonji domain containing protein	0.0092	0.0469	0.0435
Echinococcus multilocularis	geminin	0.0166	0.1036	0.1004
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0073	1
Mycobacterium ulcerans	DNA polymerase IV	0.004	0.0073	0.5
Brugia malayi	Muscleblind-like protein	0.0144	0.087	0.2828
Schistosoma mansoni	hypothetical protein	0.0041	0.0085	0.0049
Trichomonas vaginalis	glucosylceramidase, putative	0.0199	0.1289	0.6422
Brugia malayi	jmjC domain containing protein	0.0043	0.0096	0.0311
Trichomonas vaginalis	glucosylceramidase, putative	0.0288	0.1967	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0189	0.1212	0.6013
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0783	0.5738	0.5722
Loa Loa (eye worm)	jmjC domain-containing protein	0.0043	0.0096	0.0311
Echinococcus granulosus	jumonji domain containing protein	0.0049	0.0144	0.0109
Echinococcus granulosus	PHD finger protein rhinoceros	0.0035	0.0039	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0434	0.3078	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0073	1
Echinococcus granulosus	peregrin	0.0035	0.0039	0.0003
Trichomonas vaginalis	glucosylceramidase, putative	0.0189	0.1212	0.6013
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0073	1
Toxoplasma gondii	5'-nucleotidase, C-terminal domain-containing protein	0.0556	0.4004	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0288	0.1967	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0036	0.5
Loa Loa (eye worm)	hypothetical protein	0.0144	0.087	0.2828
Schistosoma mansoni	hypothetical protein	0.0035	0.0039	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0085	0.0275
Entamoeba histolytica	hypothetical protein	0.0035	0.0036	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0189	0.1212	0.6013
Trypanosoma brucei	DNA polymerase IV, putative	0.0033	0.0025	0.3391
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.0096	0.006
Trichomonas vaginalis	glucosylceramidase, putative	0.0288	0.1967	1
Schistosoma mansoni	hypothetical protein	0.0166	0.1036	0.1004
Mycobacterium ulcerans	DNA polymerase IV	0.004	0.0073	0.5
Entamoeba histolytica	hypothetical protein	0.0035	0.0036	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.023	0.0747
Echinococcus multilocularis	peregrin	0.0035	0.0039	0.0003
Echinococcus multilocularis	neuropeptide receptor A26	0.0453	0.3223	0.3199
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0035	0.0039	0.0003
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0288	0.1967	0.6391
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0073	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0231	0.0751
Loa Loa (eye worm)	hypothetical protein	0.0144	0.087	0.2828
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0035	0.0039	0.0003
Trichomonas vaginalis	glucosylceramidase, putative	0.0189	0.1212	0.6013
Echinococcus granulosus	lysine specific demethylase 5A	0.0043	0.0096	0.006
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.0096	0.006
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0039	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0189	0.1212	0.6013
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0073	1
Echinococcus granulosus	neuropeptide receptor A26	0.0453	0.3223	0.3199
Echinococcus multilocularis	Protein lozenge	0.0054	0.0186	0.0151
Echinococcus multilocularis	muscleblind protein 1	0.0144	0.087	0.0837
Schistosoma mansoni	23-cyclic-nucleotide 2-phosphodiesterase	0.0554	0.3992	0.3971
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0073	1
Echinococcus granulosus	dna polymerase kappa	0.004	0.0073	0.0038
Brugia malayi	hypothetical protein	0.0035	0.0036	0.0117
Echinococcus granulosus	muscleblind protein	0.0144	0.087	0.0837
Toxoplasma gondii	5'-nucleotidase, C-terminal domain-containing protein	0.0229	0.1514	0.3718
Onchocerca volvulus	Glucosylceramidase homolog	0.0189	0.1212	0.3859
Loa Loa (eye worm)	PHD-finger family protein	0.0035	0.0039	0.0128
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.023	0.0747
Schistosoma mansoni	lozenge	0.0054	0.0186	0.0151
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0073	1
Loa Loa (eye worm)	hypothetical protein	0.0434	0.3078	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0073	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.023	0.0747
Echinococcus multilocularis	neuropeptide s receptor	0.0453	0.3223	0.3199
Brugia malayi	hypothetical protein	0.0434	0.3078	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0189	0.1212	0.6013
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.0073	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0073	0.5
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0115	0.065	0.0616
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0073	0.5
Echinococcus multilocularis	microtubule associated protein 2	0.1343	1	1
Echinococcus granulosus	geminin	0.0166	0.1036	0.1004
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0073	0.5
Schistosoma mansoni	23-cyclic-nucleotide 2-phosphodiesterase	0.0556	0.4004	0.3983
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0039	0.0128
Echinococcus multilocularis	dna polymerase kappa	0.004	0.0073	0.0038
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.0325	0.1056
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0115	0.065	0.0616
Treponema pallidum	5'-nucleotidase (ushA)	0.0556	0.4004	0.5
Schistosoma mansoni	microtubule-associated protein tau	0.1343	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.0073	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0288	0.1967	1
Echinococcus multilocularis	muscleblind protein	0.0144	0.087	0.0837
Echinococcus granulosus	neuropeptide s receptor	0.0453	0.3223	0.3199
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0073	1
Brugia malayi	Bromodomain containing protein	0.0035	0.0039	0.0128
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0073	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0043	0.0096	0.006
Entamoeba histolytica	hypothetical protein	0.0035	0.0036	0.5
Schistosoma mansoni	hypothetical protein	0.0166	0.1036	0.1004
Trichomonas vaginalis	glucosylceramidase, putative	0.0189	0.1212	0.6013
Trichomonas vaginalis	glucosylceramidase, putative	0.0288	0.1967	1
Plasmodium falciparum	phd finger protein, putative	0.0035	0.0039	0.5
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0288	0.1967	0.6391
Echinococcus multilocularis	jumonji domain containing protein	0.0049	0.0144	0.0109
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.023	0.0747
Loa Loa (eye worm)	runx1	0.0054	0.0186	0.0604
Onchocerca volvulus		0.0434	0.3078	1
Giardia lamblia	Hypothetical protein	0.0227	0.1502	1
Trypanosoma brucei	unspecified product	0.0033	0.0025	0.3391
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0085	0.0275
Brugia malayi	PHD-finger family protein	0.0035	0.0039	0.0128
Trichomonas vaginalis	glucosylceramidase, putative	0.0288	0.1967	1
Brugia malayi	jmjC domain containing protein	0.0115	0.065	0.211

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	4.6535 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)	19.9526 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)	19.9526 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	33.5875 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	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 for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	125.8925 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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: CHEMBL1708589

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 1534998