TDR Targets

Basic information

Technical information

TDR Targets ID: 1232904
Name: 3-(4-chlorophenyl)-2-dimethylamino-1-phenylpr opan-1-one
MW: 287.784 | Formula: C17H18ClNO
H donors: 0 H acceptors: 1 LogP: 4.29 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CN(C(C(=O)c1ccccc1)Cc1ccc(cc1)Cl)C
InChi: 1S/C17H18ClNO/c1-19(2)16(12-13-8-10-15(18)11-9-13)17(20)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3
InChiKey: OLECSGBOBNAYIV-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

3-(4-chlorophenyl)-2-dimethylamino-1-phenyl-propan-1-one
T0519-8074
MLS000335471
SMR000250229

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038

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
Brugia malayi	glutaminase DH11.1	0.1111	0.7649	1
Mycobacterium ulcerans	glutaminase	0.1111	0.7649	1
Echinococcus granulosus	agrin	0.0039	0.0055	0.0064
Schistosoma mansoni	organic anion transporter	0.0058	0.0184	0.02
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0226	0.1376	0.116
Mycobacterium tuberculosis	Class a beta-lactamase BlaC	0.0138	0.0752	0.052
Echinococcus multilocularis	snurportin 1	0.0309	0.1963	0.5457
Toxoplasma gondii	protease inhibitor PI2	0.0039	0.0055	0.017
Echinococcus multilocularis	tar DNA binding protein	0.0137	0.0744	0.2013
Echinococcus multilocularis	survival motor neuron protein 1	0.0263	0.1643	0.4552
Loa Loa (eye worm)	hypothetical protein	0.004	0.0062	0.0081
Schistosoma mansoni	lamin	0.0083	0.0364	0.0437
Echinococcus multilocularis	expressed protein	0.0039	0.0055	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0184	0.0241
Mycobacterium ulcerans	lipase LipD	0.0226	0.1376	0.1528
Loa Loa (eye worm)	acetyltransferase	0.0151	0.0848	0.1108
Mycobacterium ulcerans	esterase/lipase LipP	0.0226	0.1376	0.1528
Mycobacterium leprae	conserved hypothetical protein	0.0226	0.1376	1
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0044	0.0091	0.0077
Schistosoma mansoni	survival motor neuron protein	0.0054	0.0156	0.0164
Toxoplasma gondii	ABC1 family protein	0.0226	0.1376	1
Echinococcus granulosus	geminin	0.0536	0.3572	1
Loa Loa (eye worm)	hypothetical protein	0.0226	0.1376	0.1799
Echinococcus multilocularis	geminin	0.0536	0.3572	1
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0039	0.0055	0.003
Mycobacterium ulcerans	class a beta-lactamase, BlaC	0.0138	0.0752	0.0686
Loa Loa (eye worm)	RNA binding protein	0.0137	0.0744	0.0973
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0039	0.0055	0.003
Trichomonas vaginalis	penicillin-binding protein, putative	0.0226	0.1376	0.1765
Echinococcus multilocularis	agrin	0.0039	0.0055	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0049	0.0064
Onchocerca volvulus		0.0054	0.0156	0.1137
Brugia malayi	hypothetical protein	0.0263	0.1643	0.2115
Trichomonas vaginalis	glutaminase, putative	0.1111	0.7649	1
Loa Loa (eye worm)	sodium-independent organic anion transporter	0.0058	0.0184	0.0241
Leishmania major	hypothetical protein, conserved	0.0226	0.1376	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0072	0.0286	0.0374
Onchocerca volvulus		0.0058	0.0184	0.134
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0039	0.0055	0.017
Echinococcus multilocularis	chromobox protein 1	0.0072	0.0286	0.0719
Mycobacterium tuberculosis	Probable lipase LipE	0.0226	0.1376	0.116
Echinococcus granulosus	chromobox protein 1	0.0072	0.0286	0.0719
Onchocerca volvulus		0.0083	0.0364	0.2648
Echinococcus multilocularis	follistatin	0.0039	0.0055	0.0064
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0039	0.0055	0.017
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0084	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0226	0.1376	0.1799
Brugia malayi	sodium-independent organic anion transporter family protein	0.0058	0.0184	0.02
Trichomonas vaginalis	D-aminoacylase, putative	0.0226	0.1376	0.1765
Echinococcus multilocularis	lamin	0.0083	0.0364	0.0939
Schistosoma mansoni	hypothetical protein	0.0309	0.1963	0.2536
Echinococcus granulosus	lamin dm0	0.0083	0.0364	0.0939
Echinococcus multilocularis	organic anion transporting polypeptide 30B	0.0058	0.0184	0.0431
Onchocerca volvulus		0.0039	0.0055	0.0397
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0083	0.0364	0.0476
Echinococcus granulosus	snurportin 1	0.0309	0.1963	0.5457
Loa Loa (eye worm)	glutaminase	0.1111	0.7649	1
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.0199	0.0219
Onchocerca volvulus		0.0058	0.0184	0.134
Entamoeba histolytica	acetyltransferase, GNAT family	0.0041	0.0065	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0055	0.0071
Echinococcus granulosus	tumor protein p63	0.0408	0.2668	0.7446
Mycobacterium ulcerans	hypothetical protein	0.0226	0.1376	0.1528
Onchocerca volvulus		0.0226	0.1376	1
Schistosoma mansoni	intermediate filament proteins	0.0083	0.0364	0.0437
Echinococcus multilocularis	tumor protein p63	0.0408	0.2668	0.7446
Echinococcus granulosus	organic anion transporting polypeptide 30B	0.0058	0.0184	0.0431
Mycobacterium tuberculosis	Conserved protein	0.0226	0.1376	0.116
Brugia malayi	sodium-independent organic anion transporter family protein	0.0058	0.0184	0.02
Schistosoma mansoni	hypothetical protein	0.0054	0.0156	0.0164
Brugia malayi	intermediate filament protein	0.0083	0.0364	0.0437
Loa Loa (eye worm)	TAR-binding protein	0.0137	0.0744	0.0973
Mycobacterium tuberculosis	Probable hydrolase	0.0226	0.1376	0.116
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0184	0.0241
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0137	0.0744	0.0973
Echinococcus granulosus	survival motor neuron protein 1	0.0263	0.1643	0.4552
Schistosoma mansoni	chromobox protein	0.0072	0.0286	0.0334
Brugia malayi	TAR-binding protein	0.0137	0.0744	0.0935
Brugia malayi	Heterochromatin protein 1	0.0072	0.0286	0.0334
Onchocerca volvulus		0.0058	0.0184	0.134
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0184	0.0241
Onchocerca volvulus		0.0058	0.0184	0.134
Schistosoma mansoni	tar DNA-binding protein	0.0137	0.0744	0.0935
Loa Loa (eye worm)	hypothetical protein	0.0226	0.1376	0.1799
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0354	0.0462
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0184	0.0241
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0226	0.1376	0.116
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0184	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0263	0.1643	0.2148
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0044	0.0091	0.0439
Onchocerca volvulus	Putative organic anion transporter	0.0058	0.0184	0.134
Onchocerca volvulus		0.0226	0.1376	1
Echinococcus multilocularis	lamin dm0	0.0083	0.0364	0.0939
Plasmodium falciparum	histone acetyltransferase GCN5	0.0041	0.0065	1
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0062	0.0039
Mycobacterium leprae	Probable lipase LipE	0.0226	0.1376	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0226	0.1376	0.1765
Giardia lamblia	Histone acetyltransferase GCN5	0.0041	0.0065	0.5
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0039	0.0055	0.017
Brugia malayi	RNA binding protein	0.0137	0.0744	0.0935
Brugia malayi	RNA, U transporter 1	0.0082	0.0358	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0226	0.1376	0.1799
Trypanosoma cruzi	MFS transporter, putative	0.0058	0.0184	0.1135
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0226	0.1376	0.3797
Echinococcus granulosus	intermediate filament protein	0.0083	0.0364	0.0939
Toxoplasma gondii	transporter, major facilitator family protein	0.0058	0.0184	0.1135
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0364	0.0476
Mycobacterium ulcerans	beta-lactamase	0.0226	0.1376	0.1528
Mycobacterium tuberculosis	Probable esterase LipL	0.0226	0.1376	0.116
Schistosoma mansoni	follistatin	0.0039	0.0055	0.003
Schistosoma mansoni	glutaminase	0.1111	0.7649	1
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0039	0.0055	0.017
Echinococcus granulosus	lamin	0.0083	0.0364	0.0939
Trichomonas vaginalis	chromobox protein, putative	0.0072	0.0286	0.0334
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0044	0.0091	0.0077
Brugia malayi	hypothetical protein	0.0058	0.0184	0.02
Brugia malayi	RNA recognition motif domain containing protein	0.0137	0.0744	0.0935
Echinococcus granulosus	tar DNA binding protein	0.0137	0.0744	0.2013
Trichomonas vaginalis	esterase, putative	0.0226	0.1376	0.1765
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0062	0.0039
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0044	0.0091	0.0167
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0054	0.0156	0.0164
Trypanosoma cruzi	hypothetical protein, conserved	0.0226	0.1376	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0045	0.0091	0.0078
Brugia malayi	secreted modular calcium-binding protein 1	0.0039	0.0055	0.003
Loa Loa (eye worm)	hypothetical protein	0.0226	0.1376	0.1799
Echinococcus multilocularis	musashi	0.0083	0.0364	0.0939
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0147	0.0818	0.222
Mycobacterium tuberculosis	Probable lipase LipD	0.0226	0.1376	0.116
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0151	0.0848	0.1071
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0226	0.1376	0.1528
Echinococcus granulosus	follistatin	0.0039	0.0055	0.0064
Onchocerca volvulus		0.0058	0.0184	0.134
Brugia malayi	beta-lactamase family protein	0.0226	0.1376	0.1765
Loa Loa (eye worm)	intermediate filament protein	0.0083	0.0364	0.0476
Loa Loa (eye worm)	beta-lactamase	0.0226	0.1376	0.1799
Onchocerca volvulus	Putative organic anion transporter	0.0058	0.0184	0.134
Schistosoma mansoni	hypothetical protein	0.0536	0.3572	0.4647
Onchocerca volvulus		0.0083	0.0364	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0055	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0184	0.0241
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0039	0.0055	0.003
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0044	0.0091	0.0439
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0084	0.0068
Brugia malayi	beta-lactamase family protein	0.0226	0.1376	0.1765
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.004	0.0062	0.045
Trichomonas vaginalis	D-aminoacylase, putative	0.0226	0.1376	0.1765
Schistosoma mansoni	organic anion transporter	0.0058	0.0184	0.02
Schistosoma mansoni	tar DNA-binding protein	0.0137	0.0744	0.0935
Echinococcus granulosus	beta LACTamase domain containing family member	0.0226	0.1376	0.3797
Loa Loa (eye worm)	glutaminase 2	0.1111	0.7649	1
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0039	0.0055	0.003
Schistosoma mansoni	lamin	0.0083	0.0364	0.0437
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.004	0.006	0.0079
Loa Loa (eye worm)	hypothetical protein	0.006	0.0199	0.026
Onchocerca volvulus		0.0226	0.1376	1
Schistosoma mansoni	agrin	0.0039	0.0055	0.003
Brugia malayi	Intermediate filament tail domain containing protein	0.0083	0.0364	0.0437
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0309	0.1963	0.2567
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0055	0.0071
Plasmodium vivax	hypothetical protein, conserved	0.0226	0.1376	1
Echinococcus granulosus	chromobox protein 1	0.0072	0.0286	0.0719
Loa Loa (eye worm)	kazal-type serine protease inhibitor domain-containing protein	0.0039	0.0055	0.0071
Mycobacterium tuberculosis	Conserved protein	0.0226	0.1376	0.116
Loa Loa (eye worm)	hypothetical protein	0.0226	0.1376	0.1799
Schistosoma mansoni	chromobox protein	0.0072	0.0286	0.0334
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0055	0.0071
Trichomonas vaginalis	chromobox protein, putative	0.0072	0.0286	0.0334
Brugia malayi	chromobox protein homolog 3	0.004	0.0062	0.0039
Brugia malayi	prostaglandin transporter	0.0058	0.0184	0.02
Onchocerca volvulus		0.006	0.0199	0.1445
Trypanosoma brucei	hypothetical protein, conserved	0.0226	0.1376	1
Brugia malayi	beta-lactamase	0.0226	0.1376	0.1765
Schistosoma mansoni	tar DNA-binding protein	0.0137	0.0744	0.0935
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0226	0.1376	0.1765
Schistosoma mansoni	hypothetical protein	0.0054	0.0158	0.0166
Echinococcus multilocularis	Solute carrier organic anion transporter family	0.0058	0.0184	0.0431
Trichomonas vaginalis	D-aminoacylase, putative	0.0226	0.1376	0.1765
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0184	0.0241
Trichomonas vaginalis	penicillin-binding protein, putative	0.0226	0.1376	0.1765
Trypanosoma brucei	beta lactamase	0.0066	0.0244	0.158
Loa Loa (eye worm)	agrin synaptic family protein	0.0039	0.0055	0.0071
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0045	0.0091	0.0119
Schistosoma mansoni	tar DNA-binding protein	0.0137	0.0744	0.0935
Echinococcus multilocularis	chromobox protein 1	0.0072	0.0286	0.0719
Schistosoma mansoni	tar DNA-binding protein	0.0137	0.0744	0.0935
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0044	0.0091	0.0439
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0226	0.1376	0.1799
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0084	0.0068
Schistosoma mansoni	hypothetical protein	0.0536	0.3572	0.4647
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.004	0.006	0.0079
Loa Loa (eye worm)	ICD-1 protein	0.0036	0.0032	0.0042
Brugia malayi	SPARC precursor	0.0039	0.0055	0.003
Echinococcus granulosus	Solute carrier organic anion transporter family	0.0058	0.0184	0.0431
Mycobacterium ulcerans	multidrugs-transport integral membrane protein Mmr-like	0.0801	0.5449	0.703
Onchocerca volvulus	Putative organic anion transporter	0.0058	0.0184	0.134
Trypanosoma cruzi	hypothetical protein, conserved	0.0226	0.1376	1
Brugia malayi	hypothetical protein	0.0058	0.0184	0.02
Loa Loa (eye worm)	hypothetical protein	0.004	0.006	0.0078
Brugia malayi	sodium-independent organic anion transporter family protein	0.0058	0.0184	0.02
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0049	0.0064
Brugia malayi	acetyltransferase, GNAT family protein	0.0151	0.0848	0.1071
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0151	0.0848	0.2305
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0226	0.1376	0.1765
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0226	0.1376	0.116
Mycobacterium tuberculosis	Conserved protein	0.0226	0.1376	0.116
Mycobacterium ulcerans	multidrug-transport integral membrane protein Mmr	0.0202	0.1205	0.1297

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709]	ChEMBL.	No reference
Potency (functional)	18.526 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)	23.1093 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	26.8545 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 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

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: CHEMBL1349876

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 1232904