TDR Targets

Basic information

Technical information

TDR Targets ID: 1650255
Name: 2,4-di(phenyl)but-3-enoic acid
MW: 238.281 | Formula: C16H14O2
H donors: 1 H acceptors: 2 LogP: 3.72 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(c1ccccc1)/C=C/c1ccccc1
InChi: 1S/C16H14O2/c17-16(18)15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12,15H,(H,17,18)/b12-11+
InChiKey: XDCWKTVDGLXVME-VAWYXSNFSA-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

(E)-2,4-di(phenyl)but-3-enoic acid
2294-90-8
2,4-diphenyl-3-butenoic acid
NSC154652
NCI60_001095

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
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0011	0.0003	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.002	0.0144	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0901	0.0902
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0015	0.0067	0.0067
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0097	0.1387	0.1387
Schistosoma mansoni	voltage-gated potassium channel	0.0084	0.118	0.118
Loa Loa (eye worm)	cytochrome P450 family protein	0.0011	0.0003	0.0003
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0015	0.0067	0.0067
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0011	0.0003	0.0213
Echinococcus granulosus	voltage gated potassium channel	0.0022	0.0181	0.0181
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0097	0.1387	0.1387
Leishmania major	cytochrome p450-like protein	0.0011	0.0003	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1387	0.1389
Toxoplasma gondii	hypothetical protein	0.0097	0.1387	1
Onchocerca volvulus		0.0097	0.1387	0.5
Echinococcus granulosus	sodium and chloride dependent glycine	0.05	0.7871	0.7871
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0015	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0067	0.0067
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0191	0.2901	1
Brugia malayi	Cytochrome P450 family protein	0.0011	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1387	0.1389
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0011	0.0003	0.5
Echinococcus multilocularis	sodium and chloride dependent glycine	0.05	0.7871	0.7871
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0015	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1387	0.1389
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0097	0.1387	0.1387
Echinococcus granulosus	hyperpolarization activated cyclic	0.0015	0.0067	0.0067
Schistosoma mansoni	sodium/chloride dependent transporter	0.0097	0.1387	0.1387
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0011	0.0003	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0084	0.118	0.118
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0011	0.0003	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0011	0.0003	0.5
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0097	0.1387	0.1387
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0015	0.0067	0.0067
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0011	0.0003	0.5
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0077	0.1065	0.1065
Brugia malayi	Cytochrome P450 family protein	0.002	0.0144	0.0144
Echinococcus multilocularis	serotonin transporter	0.0097	0.1387	0.1387
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0077	0.1065	0.1067
Toxoplasma gondii	hypothetical protein	0.0097	0.1387	1
Echinococcus multilocularis		0.0011	0.0003	0.0003
Leishmania major	cytochrome p450-like protein	0.0011	0.0003	0.0213
Echinococcus granulosus	hyperpolarization activated cyclic	0.0015	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.05	0.7871	0.7883
Trypanosoma cruzi	cytochrome P450, putative	0.002	0.0144	0.0486
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0181	0.0181
Schistosoma mansoni	voltage-gated potassium channel	0.0022	0.0181	0.0181
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0097	0.1387	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0097	0.1387	0.1387
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0015	0.0067	0.0067
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0011	0.0003	0.5
Brugia malayi	Cytochrome P450 family protein	0.002	0.0144	0.0144
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0097	0.1387	0.1387
Schistosoma mansoni	sodium/chloride dependent transporter	0.05	0.7871	0.7871
Loa Loa (eye worm)	cytochrome P450 family protein	0.002	0.0144	0.0144
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0011	0.0003	0.5
Echinococcus multilocularis	sodium and chloride dependent glycine	0.05	0.7871	0.7871
Onchocerca volvulus		0.0097	0.1387	0.5
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.002	0.0144	1
Echinococcus multilocularis	voltage gated potassium channel	0.0022	0.0181	0.0181
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0015	0.0067	0.0067
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0015	0.0067	0.0067
Echinococcus granulosus	cytochrome P450 2K1	0.0011	0.0003	0.0003
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0097	0.1387	0.1387
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0011	0.0003	0.5
Schistosoma mansoni	cytochrome P450	0.0011	0.0003	0.0003
Mycobacterium leprae	putative cytochrome p450	0.0011	0.0003	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0072	0.0983	1
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0097	0.1387	0.1387
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1387	0.1389
Schistosoma mansoni	voltage-gated potassium channel	0.0022	0.0181	0.0181
Schistosoma mansoni	voltage-gated potassium channel	0.0015	0.0067	0.0067
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0011	0.0003	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0017	0.0017
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0015	0.0067	0.0067
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.05	0.7871	0.7883
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0011	0.0003	0.5
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.05	0.7871	0.7871
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0097	0.1387	0.1387
Schistosoma mansoni	hypothetical protein	0.0011	0.0003	0.0003
Loa Loa (eye worm)	STE/STE11/ASK protein kinase	0.0191	0.2901	0.2905
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0097	0.1387	0.1387
Trypanosoma cruzi	cytochrome P450, putative	0.002	0.0144	0.0486
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0011	0.0003	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0072	0.0983	1
Loa Loa (eye worm)	norepinephrine transporter	0.0097	0.1387	0.1389
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0011	0.0003	0.5
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0015	0.0067	0.0067
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0097	0.1387	0.1387
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1387	0.1389
Trypanosoma brucei	cytochrome P450, putative	0.002	0.0144	1
Loa Loa (eye worm)	hypothetical protein	0.05	0.7871	0.7883
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0015	0.0067	0.0067
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0011	0.0003	0.5
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0015	0.0067	0.0067
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0191	0.2901	1
Schistosoma mansoni	protein kinase	0.0633	1	1
Plasmodium vivax	amine transporter, putative	0.0097	0.1387	0.5
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0633	1	1
Echinococcus granulosus	sodium and chloride dependent glycine	0.05	0.7871	0.7871
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0011	0.0003	0.5
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0015	0.0067	0.0067
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0022	0.0181	0.0181
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0097	0.1387	0.1387
Plasmodium falciparum	amino acid transporter, putative	0.0097	0.1387	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1387	0.1389
Echinococcus granulosus	serotonin transporter	0.0097	0.1387	0.1387
Loa Loa (eye worm)	serotonin transporter b	0.0097	0.1387	0.1389
Leishmania major	cytochrome p450-like protein	0.002	0.0144	1
Schistosoma mansoni	protein kinase	0.0633	1	1
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0022	0.0181	0.0181
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0097	0.1387	0.1389
Loa Loa (eye worm)	hypothetical protein	0.0632	0.9985	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0097	0.1387	0.1389
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0097	0.1387	0.1387
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0015	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1387	0.1389
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0077	0.1065	0.1065
Loa Loa (eye worm)	CYP4Cod1	0.002	0.0144	0.0144
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0015	0.0067	0.0067
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0022	0.0181	0.0181
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0015	0.0067	0.0067
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0097	0.1387	0.1387
Schistosoma mansoni	60S ribosomal protein L21	0.0012	0.0017	0.0017
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0015	0.0067	0.0067
Treponema pallidum	sodium- and chloride- dependent transporter	0.0097	0.1387	0.5
Loa Loa (eye worm)	cytochrome P450	0.0011	0.0003	0.0003
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0097	0.1387	0.1387
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0077	0.1065	0.1065
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0011	0.0003	0.5
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0097	0.1387	0.1387
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0011	0.0003	0.0022
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0097	0.1387	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0097	0.1387	0.1387
Plasmodium vivax	hypothetical protein, conserved	0.0097	0.1387	0.5
Schistosoma mansoni	sodium/chloride dependent transporter	0.0501	0.7886	0.7886
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0011	0.0003	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0011	0.0003	0.5
Brugia malayi	Cytochrome P450 family protein	0.0011	0.0003	0.0003
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0011	0.0003	0.5
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.0633	1	1
Brugia malayi	cytochrome P450	0.0011	0.0003	0.0003
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0097	0.1387	1
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0097	0.1387	0.1387
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0011	0.0003	0.5
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0097	0.1387	0.1387
Onchocerca volvulus		0.0097	0.1387	0.5
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0097	0.1387	0.1387
Onchocerca volvulus		0.0097	0.1387	0.5
Brugia malayi	hypothetical protein	0.0097	0.1387	0.1387
Loa Loa (eye worm)	hypothetical protein	0.019	0.2886	0.289
Mycobacterium leprae	Conserved hypothetical protein	0.0011	0.0003	0.5
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0097	0.1387	0.5
Plasmodium falciparum	transporter, putative	0.0097	0.1387	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0097	0.1387	0.1387
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1387	0.1389

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-5.034	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia 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 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 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 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 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 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 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 SK-MEL-5 Melanoma 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: CHEMBL2006533

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 1650255