TDR Targets

Basic information

Technical information

TDR Targets ID: 838543
Name: N-phenyl-N'-(pyridin-3-ylmethylideneamino)but anediamide
MW: 296.324 | Formula: C16H16N4O2
H donors: 2 H acceptors: 3 LogP: 0.84 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CCC(=O)Nc1ccccc1)N/N=C/c1cccnc1
InChi: 1S/C16H16N4O2/c21-15(19-14-6-2-1-3-7-14)8-9-16(22)20-18-12-13-5-4-10-17-11-13/h1-7,10-12H,8-9H2,(H,19,21)(H,20,22)/b18-12+
InChiKey: VBPDNMVUZSLZHQ-LDADJPATSA-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

N-phenyl-N'-(3-pyridylmethyleneamino)butanediamide
N-phenyl-N'-(3-pyridylmethyleneamino)succinamide
BIM-0020381.P001
CBMicro_020319

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Treponema pallidum	methionine aminopeptidase (map)	0.0088	0.6223	1
Plasmodium falciparum	methionine aminopeptidase 1a, putative	0.0088	0.6223	0.6018
Onchocerca volvulus		0.0035	0.2252	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0269	0.5239
Trypanosoma cruzi	hypothetical protein, conserved	0.0051	0.3465	0.3111
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0011	0.0514	1
Mycobacterium ulcerans	methionine aminopeptidase MapB	0.0088	0.6223	1
Echinococcus granulosus	xaa Pro dipeptidase	0.0011	0.0514	0.0195
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0269	0.5239
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP)	0.0088	0.6223	1
Echinococcus multilocularis	xaa pro aminopeptidase	0.0011	0.0514	0.0195
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.3772	0.3562
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0011	0.0514	1
Loa Loa (eye worm)	initiation factor 2-associated protein	0.0011	0.0514	0.0034
Trypanosoma brucei	methionine aminopeptidase, putative	0.0139	1	1
Echinococcus multilocularis	methionine aminopeptidase, type I	0.0011	0.0514	0.0195
Chlamydia trachomatis	methionine aminopeptidase	0.0088	0.6223	1
Leishmania major	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	0.0139	1	1
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0011	0.0514	1
Toxoplasma gondii	methionine aminopeptidase	0.0139	1	1
Entamoeba histolytica	Xaa-Pro dipeptidase, putative	0.0011	0.0514	0.5
Schistosoma mansoni	cpg binding protein	0.0037	0.2398	0.3798
Echinococcus granulosus	cpg binding protein	0.0037	0.2398	0.2143
Loa Loa (eye worm)	DNA-binding protein	0.0011	0.0514	0.0034
Toxoplasma gondii	methionine aminopeptidase	0.0088	0.6223	0.6018
Schistosoma mansoni	peptidase	0.0011	0.0514	0.0742
Toxoplasma gondii	methionine aminopeptidase, type i, putative	0.0088	0.6223	0.6018
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0011	0.0514	1
Echinococcus granulosus	xaa pro aminopeptidase	0.0011	0.0514	0.0195
Schistosoma mansoni	chromatin-specific transcription elongation factor 140 kDa subunit (M24 family)	0.0011	0.0514	0.0742
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0269	0.5239
Echinococcus multilocularis	xaa Pro dipeptidase	0.0011	0.0514	0.0195
Schistosoma mansoni	aminopeptidase P homologue (M24 family)	0.0011	0.0514	0.0742
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0325	0.0437
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0482	0.0162
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0011	0.0514	1
Loa Loa (eye worm)	metallopeptidase family M24 containing protein	0.0011	0.0514	0.0034
Plasmodium vivax	hypothetical protein, conserved	0.0051	0.3465	0.3111
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0269	0.5239
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.3772	0.3562
Brugia malayi	metallopeptidase family M24 containing protein	0.0011	0.0514	0.0045
Schistosoma mansoni	methionyl aminopeptidase 2 (M24 family)	0.0011	0.0514	0.0742
Echinococcus granulosus	methionine aminopeptidase type I	0.0011	0.0514	0.0195
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0011	0.0514	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.2252	0.186
Trypanosoma cruzi	hypothetical protein, conserved	0.0051	0.3465	0.3111
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0514	0.0034
Schistosoma mansoni	proliferation-associated protein 2G4 38kDa (M24 family)	0.0011	0.0514	0.0742
Echinococcus granulosus	methionyl aminopeptidase 2	0.0011	0.0514	0.0195
Echinococcus multilocularis	Xaa Pro aminopeptidase 3	0.0011	0.0514	0.0195
Trypanosoma brucei	hypothetical protein, conserved	0.0051	0.3465	0.3111
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0011	0.0514	1
Brugia malayi	metallopeptidase family M24 containing protein	0.0011	0.0514	0.0045
Entamoeba histolytica	aminopeptidase, putative	0.0011	0.0514	0.5
Plasmodium vivax	methionine aminopeptidase 1b, putative	0.0139	1	1
Leishmania major	hypothetical protein, conserved	0.0051	0.3465	0.3111
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0139	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0269	0.5239
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.4545	0.425
Schistosoma mansoni	aminopeptidase P1 (M24 family)	0.0011	0.0514	0.0742
Trypanosoma brucei	methionine aminopeptidase, type I, putative	0.0139	1	1
Schistosoma mansoni	cpg binding protein	0.0037	0.2398	0.3798
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0011	0.0514	1
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0088	0.6223	1
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0139	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.3772	0.3457
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0269	0.5239
Plasmodium falciparum	HP12 protein homolog, putative	0.0051	0.3465	0.3111
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.3772	0.6025
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0139	1	1
Brugia malayi	DNA-binding protein, 42 kDa containing protein	0.0011	0.0514	0.0045
Echinococcus granulosus	FACT complex subunit SPT16	0.0011	0.0514	0.0195
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0011	0.0514	1
Echinococcus granulosus	xaa Pro dipeptidase	0.0011	0.0514	0.0195
Echinococcus multilocularis	Proliferation associated protein 2G4	0.0011	0.0514	0.0195
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0269	0.5239
Trichomonas vaginalis	helicase, putative	0.0008	0.0269	0.5239
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0269	0.5239
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0269	0.5239
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.5126	0.8222
Toxoplasma gondii	hypothetical protein	0.0051	0.3465	0.3111
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0088	0.6223	1
Entamoeba histolytica	methionine aminopeptidase, putative	0.0011	0.0514	0.5
Brugia malayi	initiation factor 2-associated protein.	0.0011	0.0514	0.0045
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0482	0.0162
Brugia malayi	metallopeptidase family M24 containing protein	0.0011	0.0514	0.0045
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0269	0.5239
Loa Loa (eye worm)	methionine aminopeptidase type I	0.0139	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0514	0.0034
Wolbachia endosymbiont of Brugia malayi	methionine aminopeptidase	0.0088	0.6223	1
Mycobacterium tuberculosis	Methionine aminopeptidase MapB (map) (peptidase M)	0.0088	0.6223	1
Mycobacterium ulcerans	methionine aminopeptidase	0.0088	0.6223	1
Trypanosoma brucei	metallo- peptidase, Clan MG, Family M24	0.0139	1	1
Entamoeba histolytica	peptidase, putative	0.0011	0.0514	0.5
Echinococcus multilocularis	FACT complex subunit SPT16	0.0011	0.0514	0.0195
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M)	0.0088	0.6223	1
Brugia malayi	CXXC zinc finger family protein	0.0035	0.2252	0.1869
Schistosoma mansoni	cpg binding protein	0.0035	0.2252	0.3561
Echinococcus granulosus	methionyl aminopeptidase 1 M24 family	0.0139	1	1
Echinococcus multilocularis	methionyl aminopeptidase 2	0.0011	0.0514	0.0195
Echinococcus granulosus	Xaa Pro aminopeptidase 3	0.0011	0.0514	0.0195
Schistosoma mansoni	Xaa-Pro dipeptidase (M24 family)	0.0011	0.0514	0.0742
Echinococcus granulosus	Proliferation associated protein 2G4	0.0011	0.0514	0.0195
Giardia lamblia	Methionine aminopeptidase	0.0011	0.0514	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.3772	0.3562
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.3772	0.6025
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0269	0.5239
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.3772	0.3464
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0269	0.5239
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0011	0.0514	1
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0088	0.6223	0.6096
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0269	0.5239
Echinococcus multilocularis	cpg binding protein	0.0037	0.2398	0.2143
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0011	0.0514	1
Giardia lamblia	Xaa-Pro dipeptidase	0.0011	0.0514	0.5
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0269	0.5239
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0269	0.5239
Plasmodium falciparum	methionine aminopeptidase 1b, putative	0.0139	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.3772	0.6025
Plasmodium vivax	methionine aminopeptidase 1a, putative	0.0088	0.6223	0.6018
Echinococcus multilocularis	xaa Pro dipeptidase	0.0011	0.0514	0.0195
Entamoeba histolytica	hypothetical protein, conserved	0.0011	0.0514	0.5
Mycobacterium tuberculosis	Methionine aminopeptidase MapA (map) (peptidase M) (MetAP)	0.0088	0.6223	1
Schistosoma mansoni	proliferation-associated protein 2G4 38kDa (M24 family)	0.0011	0.0514	0.0742
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0269	0.5239
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.3772	0.3562
Giardia lamblia	Xaa-Pro dipeptidase	0.0011	0.0514	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0269	0.5239
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0011	0.0514	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0514	0.0034
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0011	0.0514	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.2213 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)	7.0795 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)	= 10 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS of alpha-syn Inhibitors. (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: CHEMBL3213169
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 838543