TDR Targets

Basic information

Technical information

TDR Targets ID: 1338503
Name: 1-phenyl-2-(3-phenylprop-2-ynylamino)propan-1 -ol hydrochloride
MW: 301.811 | Formula: C18H20ClNO
H donors: 2 H acceptors: 1 LogP: 3.76 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OC(c1ccccc1)C(NCC#Cc1ccccc1)C.Cl
InChi: 1S/C18H19NO.ClH/c1-15(18(20)17-12-6-3-7-13-17)19-14-8-11-16-9-4-2-5-10-16;/h2-7,9-10,12-13,15,18-20H,14H2,1H3;1H
InChiKey: PJJFVHIDGRFOQD-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

1-phenyl-2-[(3-phenyl-2-propyn-1-yl)amino]-1-propanol hydrochloride
MLS000684433
SMR000296172

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	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	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
Loa Loa (eye worm)	hypothetical 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 mansoni	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
Schistosoma japonicum	expressed 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
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
Schistosoma japonicum	expressed protein	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
Echinococcus multilocularis	lamin	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
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic 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
Schistosoma mansoni	intermediate filament proteins	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
Echinococcus multilocularis	musashi	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
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	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
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
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.005	0.2037	0.4123
Echinococcus multilocularis	neuroglian	0.005	0.2037	0.3736
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0949	0.0949
Echinococcus granulosus	protein kinase shaggy	0.0052	0.2148	0.395
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1487	0.1487
Echinococcus multilocularis	Immunoglobulin	0.005	0.2037	0.3736
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.005	0.2037	0.4123
Brugia malayi	intracellular kinase	0.0052	0.2148	0.2148
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.1487	0.1487
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0911	0.0911
Schistosoma mansoni	nephrin	0.005	0.2037	0.4123
Loa Loa (eye worm)	hypothetical protein	0.005	0.2037	0.2037
Leishmania major	macrophage migration inhibitory factor-like protein	0.0177	1	1
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0075	0.3638	0.3638
Brugia malayi	hypothetical protein	0.005	0.2037	0.2037
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0054	0.2321	0.2321
Plasmodium falciparum	macrophage migration inhibitory factor	0.0177	1	1
Echinococcus granulosus	lamin dm0	0.0033	0.0949	0.1636
Schistosoma mansoni	vesicular amine transporter	0.005	0.2037	0.4123
Echinococcus multilocularis	lamin	0.0033	0.0949	0.1636
Brugia malayi	intermediate filament protein	0.0033	0.0949	0.0949
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0069	0.3246	0.6068
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0949	0.0949
Echinococcus multilocularis	protein kinase shaggy	0.0052	0.2148	0.395
Echinococcus granulosus	lamin	0.0033	0.0949	0.1636
Echinococcus multilocularis	musashi	0.0033	0.0949	0.1636
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0101	0.0101
Brugia malayi	Fibronectin type III domain containing protein	0.005	0.2037	0.2037
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0052	0.2148	0.1451
Loa Loa (eye worm)	hypothetical protein	0.005	0.2037	0.2037
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0021	0.0234	0.0234
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0102	0.5284	1
Plasmodium falciparum	glycogen synthase kinase 3	0.0052	0.2148	0.1451
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0949	0.1806
Echinococcus granulosus	roundabout 2	0.005	0.2037	0.3736
Echinococcus multilocularis	roundabout 2	0.005	0.2037	0.3736
Schistosoma mansoni	cell adhesion molecule	0.005	0.2037	0.4123
Loa Loa (eye worm)	hypothetical protein	0.0102	0.5284	0.5284
Loa Loa (eye worm)	hypothetical protein	0.005	0.2037	0.2037
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.005	0.2037	0.3736
Onchocerca volvulus		0.0052	0.2148	1
Loa Loa (eye worm)	macrophage migration inhibitory factor	0.0177	1	1
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0052	0.2148	0.2148
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0075	0.3638	0.3638
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0101	0.0101
Loa Loa (eye worm)	glutamate receptor	0.0083	0.4087	0.4087
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0101	0.0101
Brugia malayi	hypothetical protein	0.002	0.0138	0.0138
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0083	0.4087	0.4087
Loa Loa (eye worm)	hypothetical protein	0.003	0.0815	0.0815
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.2682	0.2682
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0052	0.2148	0.395
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0234	0.0234
Entamoeba histolytica	macrophage migration inhibitory factor-like protein	0.0177	1	1
Echinococcus granulosus	intermediate filament protein	0.0033	0.0949	0.1636
Schistosoma mansoni	metabotropic glutamate receptor	0.0069	0.3246	0.6697
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0052	0.2148	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0054	0.2321	0.2321
Echinococcus granulosus	Immunoglobulin	0.005	0.2037	0.3736
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.005	0.2037	0.3736
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0102	0.5284	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.2682	0.2682
Brugia malayi	Receptor family ligand binding region containing protein	0.0021	0.0234	0.0234
Echinococcus granulosus	neuroglian	0.005	0.2037	0.3736
Loa Loa (eye worm)	hypothetical protein	0.005	0.2037	0.2037
Schistosoma mansoni	hypothetical protein	0.0041	0.1487	0.2953
Loa Loa (eye worm)	hypothetical protein	0.005	0.2037	0.2037
Trichomonas vaginalis	macrophage migration inhibitory factor, mif, putative	0.0177	1	1
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0052	0.2148	0.395
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0075	0.3599	0.3599
Brugia malayi	metabotropic glutamate receptor type 2	0.004	0.1431	0.1431
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0052	0.2148	0.1451
Echinococcus granulosus	defective proboscis extension response	0.005	0.2037	0.3736
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0021	0.0234	0.0234
Schistosoma mansoni	lamin	0.0033	0.0949	0.1806
Loa Loa (eye worm)	hypothetical protein	0.005	0.2037	0.2037
Echinococcus multilocularis	lamin dm0	0.0033	0.0949	0.1636
Trichomonas vaginalis	conserved hypothetical protein	0.0177	1	1
Plasmodium vivax	macrophage migration inhibitory factor, putative	0.0177	1	1
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0052	0.2148	0.2148
Brugia malayi	Immunoglobulin I-set domain containing protein	0.005	0.2037	0.2037
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.2682	0.2682
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0052	0.2148	0.1451
Loa Loa (eye worm)	hypothetical protein	0.005	0.2037	0.2037
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0949	0.0949
Echinococcus granulosus	twitchin	0.005	0.2068	0.3796
Loa Loa (eye worm)	hypothetical protein	0.005	0.2037	0.2037
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0949	0.0949
Brugia malayi	hypothetical protein	0.003	0.0815	0.0815
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0069	0.3246	0.6068
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0094	0.4797	1
Schistosoma mansoni	lamin	0.0033	0.0949	0.1806
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0101	0.0101
Schistosoma mansoni	metabotropic glutamate receptor	0.004	0.1431	0.2833
Echinococcus multilocularis	Immunoglobulin	0.005	0.2037	0.3736
Giardia lamblia	Macrophage migration inhibitory factor	0.0177	1	1
Trypanosoma brucei	protein kinase, putative	0.0052	0.2148	1
Leishmania major	macrophage migration inhibitory factor-like protein	0.0177	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.2037	0.2037
Loa Loa (eye worm)	glutamate receptor	0.0032	0.0944	0.0944
Toxoplasma gondii	macrophage migration inhibitory factor, putative	0.0177	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.2682	0.2682
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0052	0.2148	0.436

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 29.916 uM	PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose response assay to identify antagonists of the Galanin Receptor 3 (GalR3). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.0026 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 0.0056 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.2378 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.5623 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.1995 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Agonists: Hit Validation. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.1154 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)	25.929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 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)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	112.2018 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: CHEMBL1488936

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 1338503