TDR Targets

Basic information

Technical information

TDR Targets ID: 836857
Name: 2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxoi midazol-1-yl]-N-(3,4-difluorophenyl)acetamide
MW: 413.46 | Formula: C23H25F2N3O2
H donors: 1 H acceptors: 2 LogP: 4.41 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CN1C(=O)C(=NC1(C)C)c1ccc(cc1)C(C)(C)C)Nc1ccc(c(c1)F)F
InChi: 1S/C23H25F2N3O2/c1-22(2,3)15-8-6-14(7-9-15)20-21(30)28(23(4,5)27-20)13-19(29)26-16-10-11-17(24)18(25)12-16/h6-12H,13H2,1-5H3,(H,26,29)
InChiKey: XSUFQRMYWRJWOR-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-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxo-imidazol-1-yl]-N-(3,4-difluorophenyl)acetamide
2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxo-1-imidazolyl]-N-(3,4-difluorophenyl)acetamide
2-[4-(4-tert-butylphenyl)-5-keto-2,2-dimethyl-imidazol-1-yl]-N-(3,4-difluorophenyl)acetamide
2-[4-(4-tert-butylphenyl)-2,2-dimethyl-5-oxo-imidazol-1-yl]-N-(3,4-difluorophenyl)ethanamide
C924-0641
NCGC00114438-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Fatty acid desaturase family protein	0.0032	0.0559	0.1345
Leishmania major	delta-6 fatty acid desaturase	0.0032	0.0559	0.1415
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.001	0	0.5
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.0032	0.0559	0.0559
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0777	0.1922
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.0032	0.0559	0.0559
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.001	0	0.5
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0163	0.3835	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0221	0.0221
Echinococcus granulosus	Fatty acid desaturase type 1	0.0032	0.0559	0.0559
Trypanosoma cruzi	fatty acid desaturase, putative	0.0155	0.3648	1
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0032	0.0559	0.1415
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3	0.0032	0.0559	1
Treponema pallidum	bacterioferrin (TpF1)	0.001	0	0.5
Mycobacterium ulcerans	electron transfer protein FdxB	0.0032	0.0559	1
Leishmania major	delta-5 fatty acid desaturase	0.0032	0.0559	0.1415
Trypanosoma brucei	fatty acid desaturase, putative	0.0155	0.3648	1
Brugia malayi	acyl-CoA desaturase	0.0123	0.2832	0.735
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.0032	0.0559	0.1415
Plasmodium vivax	stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative	0.0123	0.2832	0.5
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3_2	0.0032	0.0559	1
Schistosoma mansoni	serine/threonine protein kinase	0.0163	0.3835	1
Onchocerca volvulus		0.0155	0.3648	1
Leishmania major	fatty acid desaturase, putative	0.0032	0.0559	0.1415
Brugia malayi	Protein kinase domain containing protein	0.0163	0.3835	1
Trypanosoma brucei	cytochrome b5-dependent oleate desaturase	0.0032	0.0559	0.1415
Schistosoma mansoni	hypothetical protein	0.0019	0.0221	0.0578
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0221	0.0221
Mycobacterium tuberculosis	Probable conserved membrane protein	0.0032	0.0559	1
Trypanosoma cruzi	fatty acid desaturase, putative	0.0032	0.0559	0.1415
Leishmania major	delta-4 fatty acid desaturase	0.0032	0.0559	0.1415
Schistosoma mansoni	hypothetical protein	0.0019	0.0221	0.0578
Loa Loa (eye worm)	hypothetical protein	0.006	0.1256	0.3187
Trypanosoma cruzi	fatty acid desaturase, putative	0.0032	0.0559	0.1415
Leishmania major	stearic acid desaturase, putative	0.0155	0.3648	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0777	0.1922
Trypanosoma cruzi	cytochrome b5-dependent oleate desaturase	0.0032	0.0559	0.1415
Trypanosoma brucei	delta-4 fatty acid desaturase	0.0032	0.0559	0.1415
Onchocerca volvulus		0.0155	0.3648	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1256	0.3187
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0221	0.0454
Loa Loa (eye worm)	hypothetical protein	0.006	0.1244	0.3155
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0221	0.0454
Mycobacterium ulcerans	hypothetical protein	0.0032	0.0559	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0221	0.0454
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.0032	0.0559	0.1415
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0032	0.0559	0.1415
Echinococcus multilocularis	tumor protein p63	0.0408	1	1
Mycobacterium ulcerans	hypothetical protein	0.0032	0.0559	1
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0032	0.0559	0.1415
Schistosoma mansoni	fatty acid desaturase	0.0032	0.0559	0.1457
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0012	0.005	0.0891
Loa Loa (eye worm)	fatty acid desaturase	0.0032	0.0559	0.1345
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.1244	0.3244
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1256	0.3187
Loa Loa (eye worm)	fatty acid desaturase	0.0032	0.0559	0.1345
Mycobacterium tuberculosis	Possible electron transfer protein FdxB	0.0032	0.0559	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0221	0.0578
Leishmania major	delta-12 fatty acid desaturase	0.0032	0.0559	0.1415
Onchocerca volvulus		0.006	0.1244	0.2218
Trypanosoma cruzi	fatty acid desaturase, putative	0.0123	0.2832	0.7732
Echinococcus multilocularis	Fatty acid desaturase, type 1	0.0032	0.0559	0.0559
Trypanosoma cruzi	sphingolipid delta 4 desaturase, putative	0.0032	0.0559	0.1415
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1256	0.3187
Trypanosoma brucei	sphingolipid delta 4 desaturase, putative	0.0032	0.0559	0.1415
Toxoplasma gondii	sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein	0.0032	0.0559	0.5
Trypanosoma cruzi	fatty acid desaturase, putative	0.0123	0.2832	0.7732
Trypanosoma brucei	delta-6 fatty acid desaturase, putative	0.0032	0.0559	0.1415
Brugia malayi	Delta5 fatty acid desaturase	0.0032	0.0559	0.1345
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0559	0.1345
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0032	0.0559	0.1415
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0221	0.0221
Leishmania major	fatty-acid desaturase, putative	0.0155	0.3648	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0221	0.0454
Loa Loa (eye worm)	acyl-CoA desaturase	0.0123	0.2832	0.735
Trichomonas vaginalis	ferritin, putative	0.001	0	0.5
Leishmania major	fatty acid desaturase, putative	0.0032	0.0559	0.1415
Loa Loa (eye worm)	FAT-3 protein	0.0032	0.0559	0.1345
Brugia malayi	Fatty acid desaturase family protein	0.0032	0.0559	0.1345
Echinococcus granulosus	Sphingolipid delta4 desaturase DES1	0.0032	0.0559	0.0559
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0221	0.0221
Schistosoma mansoni	hypothetical protein	0.0041	0.0777	0.2027
Plasmodium falciparum	stearoyl-CoA desaturase	0.0123	0.2832	0.5
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3	0.0032	0.0559	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0221	0.0578
Mycobacterium tuberculosis	Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f	0.0032	0.0559	1
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0221	0.0221
Mycobacterium ulcerans	transmembrane alkane 1-monooxygenase AlkB	0.0032	0.0559	1
Echinococcus granulosus	GPCR family 2	0.0019	0.0221	0.0221

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (binding)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	22.3872 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)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 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

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: CHEMBL1609778
Search by Saint Jude

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 836857