TDR Targets

Basic information

Technical information

TDR Targets ID: 1390999
Name: 2-[(3-chloro-4-methoxyphenyl)amino]-N-(2-cyan ophenyl)acetamide
MW: 315.754 | Formula: C16H14ClN3O2
H donors: 2 H acceptors: 2 LogP: 3.68 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1Cl)NCC(=O)Nc1ccccc1C#N
InChi: 1S/C16H14ClN3O2/c1-22-15-7-6-12(8-13(15)17)19-10-16(21)20-14-5-3-2-4-11(14)9-18/h2-8,19H,10H2,1H3,(H,20,21)
InChiKey: VOTNDVPENZDXTQ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

2-[(3-chloro-4-methoxy-phenyl)amino]-N-(2-cyanophenyl)acetamide
2-[(3-chloro-4-methoxy-phenyl)amino]-N-(2-cyanophenyl)ethanamide
SMR000151103
T5332124
ZINC03378224
MLS000572068

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461

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 granulosus	tar DNA binding protein	0.0076	0.0699	0.0699
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0137	0.2566	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0037	0.0073
Schistosoma mansoni	fusion	0.0078	0.0731	0.1376
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0218	0.5082	0.5082
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0699	0.1376
Mycobacterium tuberculosis	Probable dehydrogenase	0.0123	0.2141	0.8342
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0078	0.0731	1
Onchocerca volvulus		0.0078	0.0731	0.1376
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0078	0.0731	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0123	0.2141	0.8342
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0123	0.2141	0.8342
Echinococcus multilocularis	ring and YY1 binding protein	0.0078	0.0731	0.0731
Mycobacterium tuberculosis	Probable reductase	0.0123	0.2141	0.8342
Leishmania major	hypothetical protein, conserved	0.0078	0.0731	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0123	0.2141	0.8342
Echinococcus granulosus	zinc finger protein Ran binding	0.0078	0.0731	0.0731
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0078	0.0731	0.1439
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0078	0.0731	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0731	0.1439
Onchocerca volvulus		0.0078	0.0731	0.1376
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0078	0.0731	0.1439
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0078	0.0731	0.1439
Trypanosoma cruzi	hypothetical protein, conserved	0.0078	0.0731	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0731	0.1439
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0078	0.0731	0.1439
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0699	0.1376
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0078	0.0731	0.0731
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0123	0.2141	0.8342
Echinococcus multilocularis	SWI:SNF matrix associated	0.0218	0.5082	0.5082
Brugia malayi	TAR-binding protein	0.0076	0.0699	0.1376
Trypanosoma cruzi	WLM domain containing protein, putative	0.0078	0.0731	1
Trichomonas vaginalis	conserved hypothetical protein	0.0218	0.5082	0.5
Echinococcus multilocularis	tumor protein p63	0.0377	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0699	0.1312
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0699	0.1312
Schistosoma mansoni	TRABID protein (C64 family)	0.0078	0.0731	0.1376
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0078	0.0731	0.1439
Schistosoma mansoni	hypothetical protein	0.0078	0.0731	0.1376
Schistosoma mansoni	hypothetical protein	0.0218	0.5082	1
Schistosoma mansoni	hypothetical protein	0.0218	0.5082	1
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0078	0.0731	0.0731
Echinococcus multilocularis	zinc finger protein Ran binding	0.0078	0.0731	0.0731
Plasmodium vivax	hypothetical protein, conserved	0.0218	0.5082	1
Brugia malayi	brahma associated protein 60 kDa	0.0218	0.5082	1
Leishmania major	hypothetical protein, conserved	0.0078	0.0731	1
Onchocerca volvulus		0.0218	0.5082	1
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0699	0.1376
Brugia malayi	SWIB/MDM2 domain containing protein	0.0218	0.5082	1
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0218	0.5082	1
Trypanosoma brucei	hypothetical protein, conserved	0.0078	0.0731	1
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0078	0.0731	0.1376
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0078	0.0731	1
Onchocerca volvulus		0.0078	0.0731	0.1376
Toxoplasma gondii	ran binding protein	0.0078	0.0731	0.1439
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0078	0.0731	1
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0218	0.5082	0.5082
Echinococcus multilocularis	SWI:SNF matrix associated	0.0218	0.5082	0.5082
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0731	0.1439
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0078	0.0731	0.1439
Leishmania major	hypothetical protein, conserved	0.0078	0.0731	1
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0078	0.0731	0.0731
Brugia malayi	brahma associated protein 60 kDa	0.0218	0.5082	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0137	0.2566	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0137	0.2566	1
Schistosoma mansoni	RNA binding protein	0.0078	0.0731	0.1376
Brugia malayi	YY1-associated factor 2	0.0078	0.0731	0.1439
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0078	0.0731	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0218	0.5082	1
Echinococcus granulosus	SWI:SNF matrix associated	0.0218	0.5082	0.5082
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0699	0.1312
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0699	0.1312
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0218	0.5082	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0218	0.5082	0.5082
Chlamydia trachomatis	DNA topoisomerase I	0.0218	0.5082	0.5
Schistosoma mansoni	brg-1 associated factor	0.0218	0.5082	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0078	0.0731	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0078	0.0731	1
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0218	0.5082	1
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0218	0.5082	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0078	0.0731	1
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0699	0.0699
Schistosoma mansoni	hypothetical protein	0.0218	0.5082	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0137	0.2566	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0699	0.1376
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0731	0.1439
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0218	0.5082	1
Echinococcus granulosus	ring and YY1 binding protein	0.0078	0.0731	0.0731
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0699	0.1312
Trypanosoma cruzi	hypothetical protein, conserved	0.0078	0.0731	1
Schistosoma mansoni	zinc finger protein	0.0078	0.0731	0.1376
Brugia malayi	RNA binding protein	0.0076	0.0699	0.1376
Loa Loa (eye worm)	brahma associated protein	0.0218	0.5082	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0731	0.1439
Echinococcus granulosus	Zinc finger RanBP2 type	0.0078	0.0731	0.0731
Leishmania major	hypothetical protein, conserved	0.0078	0.0731	1
Leishmania major	hypothetical protein, conserved	0.0078	0.0731	1
Trypanosoma brucei	hypothetical protein, conserved	0.0078	0.0731	1
Chlamydia trachomatis	SWIB complex protein	0.0218	0.5082	0.5
Onchocerca volvulus		0.0078	0.0731	0.1376

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.7783 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.1093 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (binding)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	39.8107 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)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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: CHEMBL1526592

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 1390999