TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 303.188 | Formula: C12H16Cl2N4O
H donors: 1 H acceptors: 2 LogP: 1.81 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCn1cc(c(n1)C)/C=N\NC(=O)C1(C)CC1(Cl)Cl
InChi: 1S/C12H16Cl2N4O/c1-4-18-6-9(8(2)17-18)5-15-16-10(19)11(3)7-12(11,13)14/h5-6H,4,7H2,1-3H3,(H,16,19)/b15-5-
InChiKey: XNDBFQUYYPNZIM-WCSRMQSCSA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
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
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873

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	cathepsin L-like precursor	0.005	0.0433	0.0433
Loa Loa (eye worm)	fibroinase	0.0073	0.136	0.0969
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0073	0.136	1
Giardia lamblia	Cathepsin B precursor	0.0059	0.0798	0.5
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0073	0.136	1
Entamoeba histolytica	cysteine protease, putative	0.0073	0.136	1
Onchocerca volvulus	Cathepsin F homolog	0.0073	0.136	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.136	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.136	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.136	1
Echinococcus multilocularis	cysteine protease	0.0073	0.136	0.136
Brugia malayi	Cathepsin L-like cysteine proteinase	0.005	0.0433	0.0433
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.136	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.136	1
Giardia lamblia	Cathepsin B precursor	0.0059	0.0798	0.5
Onchocerca volvulus		0.0073	0.136	1
Echinococcus granulosus	cathepsin b	0.0154	0.4652	0.4652
Echinococcus granulosus	survival motor neuron protein 1	0.0286	1	1
Leishmania major	cathepsin L-like protease	0.0073	0.136	1
Echinococcus multilocularis	cysteine protease	0.0073	0.136	0.136
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.136	1
Leishmania major	cathepsin L-like protease	0.0073	0.136	1
Brugia malayi	Cathepsin L-like precursor	0.005	0.0433	0.0433
Leishmania major	cathepsin L-like protease	0.0073	0.136	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.005	0.0433	0.3182
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.005	0.0433	0.093
Loa Loa (eye worm)	ctsf protein	0.0073	0.136	0.0969
Brugia malayi	Cathepsin L-like precursor	0.0073	0.136	0.136
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0154	0.4652	1
Plasmodium vivax	vivapain-2	0.0073	0.136	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.136	1
Brugia malayi	Cathepsin L-like precursor	0.0073	0.136	0.136
Brugia malayi	Cathepsin L-like precursor	0.0073	0.136	0.136
Schistosoma mansoni	cathepsin F (C01 family)	0.0073	0.136	0.2924
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.136	1
Echinococcus granulosus	cathepsin b	0.0154	0.4652	0.4652
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.136	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0073	0.136	1
Onchocerca volvulus	Cathepsin L homolog	0.0073	0.136	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0073	0.136	0.2924
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.136	1
Giardia lamblia	Cathepsin B precursor	0.0059	0.0798	0.5
Loa Loa (eye worm)	cathepsin B	0.0059	0.0798	0.0382
Leishmania major	cathepsin L-like protease	0.0073	0.136	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0073	0.136	0.2924
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0154	0.4652	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.136	1
Leishmania major	cathepsin L-like protease	0.0073	0.136	1
Entamoeba histolytica	cysteine proteinase, putative	0.0073	0.136	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.136	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.136	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0073	0.136	0.2924
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.136	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.136	1
Brugia malayi	Cathepsin L-like precursor	0.0073	0.136	0.136
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0073	0.136	0.136
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0059	0.0798	0.1716
Entamoeba histolytica	cysteine proteinase, putative	0.005	0.0433	0.3182
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0059	0.0798	0.1716
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0073	0.136	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.136	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.136	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0073	0.136	0.136
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0752	0.0752
Echinococcus multilocularis	cathepsin L cysteine protease	0.0073	0.136	0.136
Leishmania major	cysteine peptidase A (CPA)	0.0073	0.136	1
Onchocerca volvulus		0.0073	0.136	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.136	1
Entamoeba histolytica	cysteine proteinase, putative	0.0073	0.136	1
Brugia malayi	Cathepsin L-like precursor	0.005	0.0433	0.0433
Brugia malayi	Cathepsin L-like precursor	0.0073	0.136	0.136
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.136	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.136	1
Onchocerca volvulus		0.0058	0.0752	0.3444
Onchocerca volvulus		0.0073	0.136	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0073	0.136	0.136
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.136	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0073	0.136	0.2924
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.136	1
Onchocerca volvulus	Cathepsin L homolog	0.0073	0.136	1
Echinococcus granulosus	cathepsin l1	0.0073	0.136	0.136
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0073	0.136	0.0969
Loa Loa (eye worm)	cysteine protease	0.0073	0.136	0.0969
Leishmania major	cathepsin L-like protease	0.0073	0.136	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.136	1
Loa Loa (eye worm)	hypothetical protein	0.0154	0.4652	0.441
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.136	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0059	0.0798	0.5868
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.136	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.136	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.136	1
Leishmania major	cathepsin L-like protease	0.0073	0.136	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.136	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.136	1
Brugia malayi	Papain family cysteine protease containing protein	0.0073	0.136	0.136
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0059	0.0798	0.5868
Echinococcus granulosus	cathepsin l1	0.005	0.0433	0.0433
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0073	0.136	1
Echinococcus multilocularis	cathepsin b	0.0154	0.4652	0.4652
Brugia malayi	Cathepsin L-like precursor	0.0073	0.136	0.136
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.136	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0073	0.136	0.136
Leishmania major	cathepsin L-like protease	0.0073	0.136	1
Onchocerca volvulus		0.0073	0.136	1
Schistosoma mansoni	hypothetical protein	0.0058	0.0752	0.1617
Onchocerca volvulus		0.0073	0.136	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0073	0.136	0.2924
Trypanosoma cruzi	cysteine peptidase, putative	0.0073	0.136	0.2924
Brugia malayi	cathepsin B-like cysteine proteinase	0.0154	0.4652	0.4652
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0073	0.136	0.0969
Toxoplasma gondii	cathepsin CPL	0.0073	0.136	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.136	0.0969
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.136	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0154	0.4652	1
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0752	0.1617
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0154	0.4652	1
Loa Loa (eye worm)	hypothetical protein	0.0286	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.136	1
Schistosoma mansoni	cathepsin F (C01 family)	0.005	0.0433	0.093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.005	0.0433	0.3182
Plasmodium vivax	vivapain-2	0.0073	0.136	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.136	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0154	0.4652	1
Echinococcus multilocularis	cathepsin b	0.0154	0.4652	0.4652
Onchocerca volvulus		0.0073	0.136	1
Onchocerca volvulus		0.0073	0.136	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.136	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0073	0.136	0.136

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.5481 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
Potency (functional)	= 4.4668 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 56.2341 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory)	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

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: CHEMBL3211725

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 1886854