TDR Targets

Basic information

Technical information

TDR Targets ID: 1452314
Name: MLS001033153
MW: 321.355 | Formula: C13H15N5O3S
H donors: 1 H acceptors: 4 LogP: 1.43 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(Sc1nnnn1C)C)Nc1ccc2c(c1)OCCO2
InChi: 1S/C13H15N5O3S/c1-8(22-13-15-16-17-18(13)2)12(19)14-9-3-4-10-11(7-9)21-6-5-20-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,19)
InChiKey: KBPHASNISTVRRC-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

SMR000363701
T5215953

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical 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)	intermediate filament tail domain-containing 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 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
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	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 granulosus	lamin	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 japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical 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
Onchocerca volvulus		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
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	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	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
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

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
Echinococcus multilocularis	voltage gated potassium channel	0.0012	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0936	0.0899
Schistosoma mansoni	voltage-gated potassium channel	0.0046	0.1283	0.3113
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0012	0.0041	0.0041
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.3178	0.315
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0501	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0727	0.0689
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0015	0.0157	0.0157
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0779	0.0741
Echinococcus granulosus	lamin	0.0033	0.0779	0.0779
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0501	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0143	0.0103
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0042	0.114	0.1104
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0041	0.0099
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0157	0.0157
Echinococcus granulosus	lamin dm0	0.0033	0.0779	0.0779
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.3897	0.3872
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0727	0.0689
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.004	0.1038	0.5
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0501	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0165	0.0125
Echinococcus granulosus	voltage gated potassium channel	0.0012	0.0041	0.0041
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0015	0.0157	0.5
Schistosoma mansoni	hypothetical protein	0.0031	0.0727	0.1764
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0779	0.0741
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0501	1
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0041	0.0099
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0015	0.0157	0.038
Schistosoma mansoni	hypothetical protein	0.0031	0.0727	0.1764
Schistosoma mansoni	hypothetical protein	0.0058	0.1715	0.4163
Echinococcus multilocularis	musashi	0.0033	0.0779	0.0779
Brugia malayi	intermediate filament protein	0.0033	0.0779	0.0741
Loa Loa (eye worm)	RNA binding protein	0.0124	0.412	0.4096
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.412	1
Brugia malayi	isocitrate dehydrogenase	0.0015	0.0157	0.0116
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0042	0.114	0.114
Loa Loa (eye worm)	TAR-binding protein	0.0124	0.412	0.4096
Brugia malayi	Isocitrate dehydrogenase	0.0015	0.0157	0.0116
Onchocerca volvulus		0.0058	0.1715	1
Schistosoma mansoni	lamin	0.0033	0.0779	0.1891
Echinococcus granulosus	GPCR family 2	0.0031	0.0727	0.0727
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0501	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0727	0.0689
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.412	1
Echinococcus multilocularis	lamin	0.0033	0.0779	0.0779
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0042	0.114	0.114
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0124	0.412	0.4096
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0042	0.114	0.1104
Brugia malayi	MH2 domain containing protein	0.0118	0.3897	0.3872
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0228	0.0188
Schistosoma mansoni	hypothetical protein	0.0067	0.2043	0.4959
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.2043	0.2011
Schistosoma mansoni	lamin	0.0033	0.0779	0.1891
Schistosoma mansoni	hypothetical protein	0.0031	0.0727	0.1764
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0016	0.0165	0.0165
Brugia malayi	hypothetical protein	0.0016	0.0179	0.0139
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0727	0.0727
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.1715	0.1681
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0779	0.0741
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0016	0.0165	0.0165
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.3178	0.315
Echinococcus multilocularis	lamin dm0	0.0033	0.0779	0.0779
Brugia malayi	RNA binding protein	0.0124	0.412	0.4096
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.412	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0727	0.0727
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.004	0.1038	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0727	0.0689
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0143	0.0103
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0501	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0727	0.0727
Brugia malayi	TAR-binding protein	0.0124	0.412	0.4096
Loa Loa (eye worm)	hypothetical protein	0.0286	1	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0501	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0501	0.0462
Loa Loa (eye worm)	hypothetical protein	0.0098	0.3178	0.315
Loa Loa (eye worm)	hypothetical protein	0.0067	0.2043	0.2011
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0727	0.0727
Brugia malayi	hypothetical protein	0.0025	0.0501	0.0462
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.412	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.3178	0.315
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.412	1
Schistosoma mansoni	survival motor neuron protein	0.0058	0.1715	0.4163
Echinococcus granulosus	survival motor neuron protein 1	0.0286	1	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0727	0.0727
Echinococcus granulosus	tar DNA binding protein	0.0124	0.412	0.412
Brugia malayi	RNA recognition motif domain containing protein	0.0124	0.412	0.4096
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0779	0.0741
Echinococcus multilocularis	isocitrate dehydrogenase	0.0015	0.0157	0.0157
Leishmania major	hypothetical protein, conserved	0.0025	0.0501	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0758	0.072
Echinococcus granulosus	intermediate filament protein	0.0033	0.0779	0.0779
Schistosoma mansoni	hypothetical protein	0.0031	0.0727	0.1764
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0157	0.0157
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0015	0.0157	0.0157
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0779	0.1891
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0012	0.0041	0.0041
Echinococcus multilocularis	tar DNA binding protein	0.0124	0.412	0.412
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.3897	0.3872
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0.0157	0.0116
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.0228	0.0188
Schistosoma mansoni	voltage-gated potassium channel	0.0046	0.1283	0.3113

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.122 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 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)	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)	21.3313 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 for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 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)	35.4813 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)	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)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1587940

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 1452314