TDR Targets

Basic information

Technical information

TDR Targets ID: 1437274
Name: 2-methyl-N-[[1-(5-morpholin-4-yl-1,3,4-thiadi azol-2-yl)pyrrol-2-yl]methyl]aniline
MW: 355.457 | Formula: C18H21N5OS
H donors: 1 H acceptors: 2 LogP: 3.06 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccccc1NCc1cccn1c1nnc(s1)N1CCOCC1
InChi: 1S/C18H21N5OS/c1-14-5-2-3-7-16(14)19-13-15-6-4-8-23(15)18-21-20-17(25-18)22-9-11-24-12-10-22/h2-8,19H,9-13H2,1H3
InChiKey: PKSFNHXZQIRIAE-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

2-methyl-N-[[1-(5-morpholino-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]aniline
2-methyl-N-[[1-(5-morpholino-1,3,4-thiadiazol-2-yl)-2-pyrrolyl]methyl]aniline
(2-methylphenyl)-[[1-(5-morpholino-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]amine
E958-1415
NCGC00127084-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Homo sapiens	synuclein, alpha (non A4 component of amyloid precursor)	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	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
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
Brugia malayi	Bromodomain containing protein	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
Brugia malayi	Intermediate filament tail domain containing protein	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
Loa Loa (eye worm)	intermediate filament tail domain-containing 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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	intermediate filament 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	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
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
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
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	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_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
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	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	musashi	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)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	cytoplasmic intermediate filament 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
Brugia malayi	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
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	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
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	tubulin subunit beta	0.0024	0.0946	0.1016
Loa Loa (eye worm)	hypothetical protein	0.0052	0.4657	0.5011
Schistosoma mansoni	lamin	0.0033	0.2068	0.2432
Trichomonas vaginalis	tubulin alpha chain, putative	0.0024	0.0946	0.5
Brugia malayi	intermediate filament protein	0.0033	0.2068	0.2068
Echinococcus multilocularis	Tubulin beta 2C chain	0.0024	0.0946	0.0732
Schistosoma mansoni	hypothetical protein	0.0025	0.1022	0.1112
Onchocerca volvulus		0.0033	0.2068	0.5
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.2068	0.2068
Trypanosoma brucei	beta tubulin	0.0024	0.0946	1
Trypanosoma brucei	beta tubulin	0.0024	0.0946	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0024	0.0946	0.5
Trypanosoma brucei	beta tubulin	0.0024	0.0946	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0024	0.0946	0.0732
Loa Loa (eye worm)	beta-tubulin	0.0024	0.0946	0.1018
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.1337	0.151
Echinococcus multilocularis	tubulin beta 1 chain	0.0024	0.0946	0.0732
Entamoeba histolytica	tubulin family protein	0.0024	0.0946	0.5
Toxoplasma gondii	beta-tubulin, putative	0.0024	0.0946	0.5
Schistosoma mansoni	lamin	0.0033	0.2068	0.2432
Trypanosoma brucei	beta tubulin	0.0024	0.0946	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.2068	0.2225
Echinococcus granulosus	lamin	0.0033	0.2068	0.2325
Echinococcus granulosus	beta tubulin	0.0024	0.0946	0.0732
Schistosoma mansoni	tubulin subunit beta	0.0024	0.0946	0.1016
Leishmania major	beta tubulin	0.0024	0.0946	1
Echinococcus multilocularis	tubulin subunit beta	0.0024	0.0946	0.0732
Giardia lamblia	Beta tubulin	0.0024	0.0946	0.5
Loa Loa (eye worm)	tubulin beta-2A chain	0.0024	0.0946	0.1018
Leishmania major	beta tubulin	0.0024	0.0946	1
Leishmania major	beta tubulin	0.0024	0.0946	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.7474	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.3548	0.4427
Leishmania major	beta tubulin	0.0024	0.0946	1
Echinococcus granulosus	intermediate filament protein	0.0033	0.2068	0.2325
Loa Loa (eye worm)	BEN-1 protein	0.0024	0.0946	0.1018
Echinococcus multilocularis	musashi	0.0033	0.2068	0.2325
Brugia malayi	PHD-finger family protein	0.003	0.1728	0.1728
Onchocerca volvulus		0.0033	0.2068	0.5
Echinococcus multilocularis	lamin dm0	0.0033	0.2068	0.2325
Toxoplasma gondii	beta tubulin	0.0024	0.0946	0.5
Trypanosoma cruzi	beta tubulin, putative	0.0024	0.0946	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.3951	0.4251
Schistosoma mansoni	intermediate filament proteins	0.0033	0.2068	0.2432
Schistosoma mansoni	bromodomain containing protein	0.0076	0.8065	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0024	0.0946	0.0732
Loa Loa (eye worm)	tubulin beta-4 chain	0.0024	0.0946	0.1018
Loa Loa (eye worm)	tubulin beta chain	0.0024	0.0946	0.1018
Trichomonas vaginalis	tubulin, putative	0.0024	0.0946	0.5
Brugia malayi	beta-tubulin, identical	0.0024	0.0946	0.0946
Leishmania major	beta tubulin	0.0024	0.0946	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.4342	0.4672
Leishmania major	beta tubulin	0.0024	0.0946	1
Echinococcus multilocularis	zinc finger protein	0.0024	0.0847	0.0592
Echinococcus granulosus	tubulin subunit beta	0.0024	0.0946	0.0732
Echinococcus granulosus	beta tubulin	0.0024	0.0946	0.0732
Plasmodium falciparum	tubulin beta chain	0.0024	0.0946	0.5
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.043	0.0366
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.2068	0.2225
Echinococcus granulosus	Tubulin beta 2C chain	0.0024	0.0946	0.0732
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.2068	0.2225
Leishmania major	beta tubulin	0.0024	0.0946	1
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.1022	0.1099
Toxoplasma gondii	beta-1 tubulin, putative	0.0024	0.0946	0.5
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.1337	0.1287
Giardia lamblia	Beta tubulin	0.0024	0.0946	0.5
Schistosoma mansoni	tubulin subunit beta	0.0024	0.0946	0.1016
Schistosoma mansoni	zinc finger protein	0.0024	0.0847	0.0891
Leishmania major	beta tubulin	0.0024	0.0946	1
Echinococcus granulosus	tubulin beta 1 chain	0.0024	0.0946	0.0732
Echinococcus multilocularis	lamin	0.0033	0.2068	0.2325
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.043	0.0366
Leishmania major	beta tubulin	0.0024	0.0946	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0024	0.0946	0.5
Leishmania major	beta tubulin	0.0024	0.0946	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0024	0.0946	0.5
Plasmodium vivax	tubulin beta chain, putative	0.0024	0.0946	0.5
Echinococcus multilocularis	Tubulin beta 2C chain	0.0024	0.0946	0.0732
Echinococcus multilocularis	beta tubulin	0.0024	0.0946	0.0732
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.0532	0.0572
Echinococcus granulosus	tubulin beta 4A class IVa	0.0024	0.0946	0.0732
Schistosoma mansoni	tubulin subunit beta	0.0024	0.0946	0.1016
Leishmania major	beta tubulin	0.0024	0.0946	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.9294	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.043	0.0463
Giardia lamblia	Beta tubulin	0.0024	0.0946	0.5
Echinococcus multilocularis	beta tubulin	0.0024	0.0946	0.0732
Echinococcus granulosus	lamin dm0	0.0033	0.2068	0.2325
Loa Loa (eye worm)	BEN-1 protein	0.0024	0.0946	0.1018
Echinococcus granulosus	Tubulin beta 2C chain	0.0024	0.0946	0.0732
Leishmania major	beta tubulin	0.0024	0.0946	1
Leishmania major	beta tubulin	0.0024	0.0946	1
Leishmania major	beta tubulin	0.0024	0.0946	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0024	0.0946	0.0732
Brugia malayi	Tubulin beta-1 chain	0.0024	0.0946	0.0946
Leishmania major	beta tubulin	0.0024	0.0946	1
Entamoeba histolytica	tubulin family protein	0.0024	0.0946	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0024	0.0946	0.0732
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1986	0.2137
Echinococcus granulosus	zinc finger protein	0.0024	0.0847	0.0592
Echinococcus granulosus	Tubulin beta 2C chain	0.0024	0.0946	0.0732
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.043	0.0366
Loa Loa (eye worm)	tubulin beta-1 chain	0.0024	0.0946	0.1018
Leishmania major	beta tubulin	0.0024	0.0946	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.3548	0.4427
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0024	0.0946	0.0732
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.7474	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.1337	0.1287
Schistosoma mansoni	tubulin subunit beta	0.0024	0.0946	0.1016
Brugia malayi	Bromodomain containing protein	0.0046	0.3939	0.3939
Schistosoma mansoni	tubulin subunit beta	0.0024	0.0946	0.1016
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.043	0.0366
Echinococcus multilocularis	Tubulin beta 2C chain	0.0024	0.0946	0.0732
Leishmania major	beta tubulin	0.0024	0.0946	1
Leishmania major	beta tubulin	0.0024	0.0946	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0024	0.0946	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (binding)	= 1.122 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	1.4125 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	5.6234 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	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: CHEMBL1605471

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 1437274