TDR Targets

Basic information

Technical information

TDR Targets ID: 1487444
Name: (2S)-2-(aminocarbonylamino)-N-[3-[(4-methoxyp henyl)sulfamoyl]-4-methyl-phenyl]-3-methyl-bu tanamide
MW: 434.509 | Formula: C20H26N4O5S
H donors: 4 H acceptors: 4 LogP: 2.1 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)NS(=O)(=O)c1cc(ccc1C)NC(=O)[C@H](C(C)C)NC(=O)N
InChi: 1S/C20H26N4O5S/c1-12(2)18(23-20(21)26)19(25)22-15-6-5-13(3)17(11-15)30(27,28)24-14-7-9-16(29-4)10-8-14/h5-12,18,24H,1-4H3,(H,22,25)(H3,21,23,26)/t18-/m0/s1
InChiKey: PSYPTSGXEOFUKM-SFHVURJKSA-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

(2S)-2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide
(2S)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-phenyl]-3-methyl-2-ureido-butanamide
(2S)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methyl-2-ureidobutanamide
(2S)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-phenyl]-3-methyl-2-ureido-butyramide
MLS000761282
SMR000369584
T5251633

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	Nuclear pore complex protein Nup153	0.0023	0.1063	0.1063
Echinococcus granulosus	Zinc finger RanBP2 type	0.0023	0.1063	0.1063
Trypanosoma cruzi	WLM domain containing protein, putative	0.0023	0.1063	0.5
Schistosoma mansoni	zinc finger protein	0.0023	0.1063	0.2607
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0023	0.1063	0.1063
Mycobacterium tuberculosis	Probable bacterioferritin BfrA	0.0008	0	0.5
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0023	0.1063	0.5
Echinococcus multilocularis	SWI:SNF matrix associated	0.0065	0.4078	0.4078
Plasmodium vivax	hypothetical protein, conserved	0.0065	0.4078	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0023	0.1063	0.5
Mycobacterium ulcerans	bacterioferritin BfrA	0.0008	0	0.5
Leishmania major	hypothetical protein, conserved	0.0023	0.1063	0.5
Echinococcus multilocularis	zinc finger protein Ran binding	0.0023	0.1063	0.1063
Echinococcus multilocularis	ring and YY1 binding protein	0.0023	0.1063	0.1063
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.0008	0	0.5
Leishmania major	hypothetical protein, conserved	0.0023	0.1063	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.4078	1
Echinococcus granulosus	muscleblind protein	0.0147	1	1
Echinococcus granulosus	zinc finger protein Ran binding	0.0023	0.1063	0.1063
Treponema pallidum	bacterioferrin (TpF1)	0.0008	0	0.5
Chlamydia trachomatis	DNA topoisomerase I	0.0065	0.4078	0.5
Echinococcus granulosus	ring and YY1 binding protein	0.0023	0.1063	0.1063
Trypanosoma cruzi	hypothetical protein, conserved	0.0023	0.1063	0.5
Schistosoma mansoni	hypothetical protein	0.0065	0.4078	1
Echinococcus multilocularis	muscleblind protein	0.0147	1	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0065	0.4078	0.4078
Schistosoma mansoni	RNA binding protein	0.0023	0.1063	0.2607
Chlamydia trachomatis	SWIB complex protein	0.0065	0.4078	0.5
Echinococcus multilocularis	SWI:SNF matrix associated	0.0065	0.4078	0.4078
Schistosoma mansoni	hypothetical protein	0.0023	0.1063	0.2607
Trypanosoma cruzi	hypothetical protein, conserved	0.0023	0.1063	0.5
Brugia malayi	brahma associated protein 60 kDa	0.0065	0.4078	0.3374
Schistosoma mansoni	brg-1 associated factor	0.0065	0.4078	1
Loa Loa (eye worm)	hypothetical protein	0.0147	1	1
Leishmania major	hypothetical protein, conserved	0.0023	0.1063	0.5
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0008	0	0.5
Trypanosoma cruzi	WLM domain containing protein, putative	0.0023	0.1063	0.5
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0065	0.4078	0.3374
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0065	0.4078	1
Onchocerca volvulus		0.0065	0.4078	1
Mycobacterium ulcerans	bacterioferritin BfrB	0.0008	0	0.5
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0065	0.4078	1
Schistosoma mansoni	fusion	0.0023	0.1063	0.2607
Leishmania major	hypothetical protein, conserved	0.0023	0.1063	0.5
Schistosoma mansoni	hypothetical protein	0.0065	0.4078	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0023	0.1063	0.5
Brugia malayi	brahma associated protein 60 kDa	0.0065	0.4078	0.3374
Mycobacterium tuberculosis	Bacterioferritin BfrB	0.0008	0	0.5
Echinococcus granulosus	SWI:SNF matrix associated	0.0065	0.4078	0.4078
Brugia malayi	SWIB/MDM2 domain containing protein	0.0065	0.4078	0.3374
Schistosoma mansoni	hypothetical protein	0.0065	0.4078	1
Loa Loa (eye worm)	hypothetical protein	0.0147	1	1
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0065	0.4078	0.4078
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0023	0.1063	0.5
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0065	0.4078	1
Echinococcus multilocularis	muscleblind protein 1	0.0147	1	1
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0023	0.1063	0.5
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0023	0.1063	0.5
Schistosoma mansoni	TRABID protein (C64 family)	0.0023	0.1063	0.2607
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0023	0.1063	0.5
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0065	0.4078	1
Trypanosoma brucei	hypothetical protein, conserved	0.0023	0.1063	0.5
Loa Loa (eye worm)	brahma associated protein	0.0065	0.4078	0.3374
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0023	0.1063	0.5
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0065	0.4078	0.5
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0023	0.1063	0.1063
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0065	0.4078	0.4078
Leishmania major	hypothetical protein, conserved	0.0023	0.1063	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0023	0.1063	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	22.3872 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory)	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: CHEMBL1716505

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 1487444