Detailed information for compound 35894

Basic information

Technical information
  • TDR Targets ID: 35894
  • Name: 4-(4-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihyd roimidazol-2-one
  • MW: 268.271 | Formula: C14H12N4O2
  • H donors: 2 H acceptors: 4 LogP: 1.87 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1nc([nH]c1C)O)c1ccc(cc1)n1cncc1
  • InChi: 1S/C14H12N4O2/c1-9-12(17-14(20)16-9)13(19)10-2-4-11(5-3-10)18-7-6-15-8-18/h2-8H,1H3,(H2,16,17,20)
  • InChiKey: GTLADJHSFQKGDS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[4-(1-imidazolyl)phenyl]-oxomethyl]-5-methyl-1,3-dihydroimidazol-2-one
  • 4-(4-imidazol-1-ylphenyl)carbonyl-5-methyl-1,3-dihydroimidazol-2-one
  • 4-(4-imidazol-1-ylbenzoyl)-5-methyl-4-imidazolin-2-one
  • 2H-Imidazol-2-one, 1,3-dihydro-4-[4-(1H-imidazol-1-yl)- benzoyl]
  • NCI60_012645
  • 2H-Imidazol-2-one, {1,3-dihydro-4-[4-(1H-imidazol-1-yl)-} benzoyl]
  • 4-(4-(1H-Imidazol-1-yl)benzoyl)-5-methyl-1,3-dihydro-2H-imidazol-2-one
  • AIDS-136457
  • AIDS136457
  • NSC638021

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphodiesterase 4C, cAMP-specific References
Homo sapiens phosphodiesterase 4B, cAMP-specific References
Homo sapiens phosphodiesterase 4D, cAMP-specific Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, putative Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A Get druggable targets OG5_128242 All targets in OG5_128242
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Neospora caninum cAMP-specific phosphodiesterase, putative Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4C, putative Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Cryptosporidium parvum membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein Get druggable targets OG5_128242 All targets in OG5_128242
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans NAD synthetase 0.0171 0.2953 0.5
Mycobacterium tuberculosis Glutamine-dependent NAD(+) synthetase NadE (NAD(+) synthase [glutamine-hydrolysing]) 0.0171 0.2953 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0335 1 1
Plasmodium falciparum glutamine-dependent NAD(+) synthetase, putative 0.0171 0.2953 0.5
Treponema pallidum NAD synthetase 0.0171 0.2953 0.5
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0335 1 1
Leishmania major NAD synthase, putative 0.0171 0.2953 0.5
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0335 1 1
Entamoeba histolytica NAD synthetase, putative 0.0171 0.2953 0.5
Loa Loa (eye worm) hypothetical protein 0.0335 1 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0335 1 1
Plasmodium vivax glutamine-dependent NAD(+) synthetase, putative 0.0171 0.2953 0.5
Trypanosoma cruzi NAD+ synthase, putative 0.0171 0.2953 0.5
Schistosoma mansoni glutamine-dependent NAD(+) synthetase 0.0171 0.2953 0.2953
Mycobacterium leprae PROBABLE GLUTAMINE-DEPENDENT NAD(+) SYNTHETASE NADE (NAD(+) SYNTHASE [GLUTAMINE-HYDROLYSING]) 0.0171 0.2953 0.5
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0294 0.8243 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0335 1 1
Trichomonas vaginalis nh(3)-dependent NAD(+) synthetase, putative 0.0171 0.2953 0.5
Trypanosoma brucei NAD+ synthase, putative 0.0171 0.2953 0.5
Trypanosoma cruzi NAD+ synthase, putative 0.0171 0.2953 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0335 1 1

Activities

Activity type Activity value Assay description Source Reference
C20 (functional) = 0.1 uM Inotropic activity as dose required to cause 20% positive or negative change in contractile force of papillary muscle from ferret (F). ChEMBL. 3039132
Contractility (LV dP/dt) (functional) <= 0.1 Equieffective dose for contractility in anesthetized dogs for a maximum dose of 3.0 mg/kg. ChEMBL. 3039132
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Heart rate (functional) = 0.1 Equieffective dose for heart rate in anesthetized dogs for a maximum dose of 3.0 mg/kg. Values ranges from :0.05-0.2 ChEMBL. 3039132
IC50 (binding) = 6 uM Inhibition of canine cardiac cAMP phosphodiesterase (cAMP-PDE) ChEMBL. 3039132
IC50 (binding) = 6 uM Inhibition of canine cardiac cAMP phosphodiesterase (cAMP-PDE) ChEMBL. 3039132
Mean arterial blood pressure (functional) = 0.9 Equieffective dose for mean arterial pressure in anesthetized dogs for a maximum dose of 3.0 mg/kg. Values Ranges From: 0.2-2.4 ChEMBL. 3039132

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

Bibliographic References

1 literature reference was collected for this gene.

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