Detailed information for compound 312324

Basic information

Technical information
  • TDR Targets ID: 312324
  • Name: 3-cyclopentyl-5-phenylimidazolidine-2,4-dione
  • MW: 244.289 | Formula: C14H16N2O2
  • H donors: 1 H acceptors: 2 LogP: 2.1 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N(C2CCCC2)C(=O)NC1c1ccccc1
  • InChi: 1S/C14H16N2O2/c17-13-12(10-6-2-1-3-7-10)15-14(18)16(13)11-8-4-5-9-11/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,18)
  • InChiKey: WALGVMNSEJWREO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-cyclopentyl-5-phenyl-imidazolidine-2,4-dione
  • 3-cyclopentyl-5-phenyl-hydantoin
  • 2,4-Imidazolidinedione, 3-cyclopentyl-5-phenyl-
  • AIDS-225727
  • AIDS225727

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0287 0.1979 0.1966
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0287 0.1979 0.1966
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0287 0.1979 0.5
Plasmodium vivax glutathione reductase, putative 0.083 1 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0287 0.1979 0.1979
Onchocerca volvulus 0.0155 0.0016 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.083 1 1
Plasmodium falciparum thioredoxin reductase 0.083 1 1
Schistosoma mansoni cell adhesion molecule 0.0162 0.0128 0.0128
Plasmodium falciparum glutathione reductase 0.0287 0.1979 0.1966
Loa Loa (eye worm) hypothetical protein 0.0194 0.0591 0.0575
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0287 0.1979 0.1966
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.083 1 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0287 0.1979 0.1966
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0162 0.0128 0.0112
Onchocerca volvulus 0.0155 0.0016 0.5
Schistosoma mansoni c4b-binding protein beta chain 0.0155 0.0016 0.0016
Onchocerca volvulus 0.0155 0.0016 0.5
Leishmania major trypanothione reductase 0.083 1 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0287 0.1979 0.5
Onchocerca volvulus 0.0155 0.0016 0.5
Loa Loa (eye worm) hypothetical protein 0.0172 0.0273 0.0257
Echinococcus multilocularis C type lectin domian containing protein 0.0155 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0162 0.0128 0.0112
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0211 0.085 0.0836
Brugia malayi Thioredoxin reductase 0.083 1 1
Onchocerca volvulus 0.0155 0.0016 0.5
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0287 0.1979 0.1979
Plasmodium falciparum glutathione reductase 0.083 1 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0287 0.1979 0.1966
Brugia malayi Immunoglobulin I-set domain containing protein 0.0162 0.0128 0.0112
Onchocerca volvulus 0.0155 0.0016 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0287 0.1979 0.5
Onchocerca volvulus 0.0155 0.0016 0.5
Plasmodium vivax thioredoxin reductase, putative 0.083 1 1
Echinococcus granulosus thioredoxin glutathione reductase 0.083 1 1
Toxoplasma gondii thioredoxin reductase 0.083 1 1
Onchocerca volvulus 0.0155 0.0016 0.5
Loa Loa (eye worm) hypothetical protein 0.0194 0.0591 0.0575
Brugia malayi GCC2 and GCC3 family protein 0.0239 0.1256 0.1242
Plasmodium falciparum thioredoxin reductase 0.0287 0.1979 0.1966
Giardia lamblia NADH oxidase lateral transfer candidate 0.0287 0.1979 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.083 1 1
Echinococcus multilocularis roundabout 2 0.0194 0.0591 0.0591
Loa Loa (eye worm) hypothetical protein 0.0239 0.1256 0.1242
Echinococcus multilocularis c4b binding protein beta chain 0.0155 0.0016 0.0016
Trypanosoma brucei trypanothione reductase 0.083 1 1
Echinococcus granulosus roundabout 2 0.0194 0.0591 0.0591
Treponema pallidum NADH oxidase 0.0287 0.1979 0.5
Toxoplasma gondii NADPH-glutathione reductase 0.0287 0.1979 0.1966
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0287 0.1979 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0287 0.1979 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0287 0.1979 0.5
Onchocerca volvulus 0.0155 0.0016 0.5
Onchocerca volvulus 0.0155 0.0016 0.5
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0287 0.1979 0.5
Trichomonas vaginalis glutathione reductase, putative 0.0287 0.1979 0.5
Echinococcus granulosus c4b binding protein beta chain 0.0155 0.0016 0.0016
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0287 0.1979 0.1966
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0287 0.1979 0.1979
Echinococcus granulosus C type lectin domian containing protein 0.0155 0.0016 0.0016
Loa Loa (eye worm) glutathione reductase 0.083 1 1
Loa Loa (eye worm) thioredoxin reductase 0.083 1 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0211 0.085 0.0836
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0162 0.0128 0.0128
Trichomonas vaginalis mercuric reductase, putative 0.0287 0.1979 0.5

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 27.4 ug ml-1 Cytotoxic concentration to reduce the 50% cell growth of human embryonic lung cells ChEMBL. 15658861
CC50 (functional) = 27.4 ug ml-1 Cytotoxic concentration to reduce the 50% cell growth of human embryonic lung cells ChEMBL. 15658861
EC50 (functional) > 4 ug ml-1 Effective concentration required to reduce plaque formation by Davis strain of CMV virus in Human embryonic lung cells ChEMBL. 15658861
EC50 (functional) > 4 ug ml-1 Effective concentration of compound required to reduce plaque formation by OKA strain of thymidine kinase positive VZ virus TK+ in human embryonic lung cells ChEMBL. 15658861
EC50 (functional) = 9 ug ml-1 Reduction of plaque formation by VZV07/1 strain of thymidine kinase(TK-) deficient VZ virus in human embryonic lung cells ChEMBL. 15658861
EC50 (functional) > 20 ug ml-1 Effective concentration required to reduce plaque formation by AD-169 strain of CMV virus in Human embryonic lung cells ChEMBL. 15658861
IC50 (functional) = 22 uM Inhibition of breast carcinoma cell line (MCF-7) growth ChEMBL. 15658861
IC50 (functional) = 22 uM Inhibition of breast carcinoma cell line (MCF-7) growth ChEMBL. 15658861
IC50 (functional) > 100 uM Inhibition of colon carcinoma cell line (SW 620) growth ChEMBL. 15658861
IC50 (functional) > 100 uM Inhibition of laryngeal carcinoma cell line (Hep-2) growth ChEMBL. 15658861
IC50 (functional) > 100 uM Inhibition of pancreatic carcinoma cell line (MiaPaCa-2) growth ChEMBL. 15658861
IC50 (functional) > 100 uM Inhibition of cervical carcinoma cell line (HeLa) growth ChEMBL. 15658861
IC50 (functional) > 100 uM Inhibition of normal human fibroblast cell line (WI 38) growth ChEMBL. 15658861
IC50 (functional) > 100 uM Inhibition of colon carcinoma cell line (SW 620) growth ChEMBL. 15658861
IC50 (functional) > 100 uM Inhibition of laryngeal carcinoma cell line (Hep-2) growth ChEMBL. 15658861
IC50 (functional) > 100 uM Inhibition of pancreatic carcinoma cell line (MiaPaCa-2) growth ChEMBL. 15658861
IC50 (functional) > 100 uM Inhibition of cervical carcinoma cell line (HeLa) growth ChEMBL. 15658861
IC50 (functional) > 100 uM Inhibition of normal human fibroblast cell line (WI 38) growth ChEMBL. 15658861
IC50 (functional) > 200 uM Inhibition of murine leukemia cells (L1210) growth ChEMBL. 15658861
IC50 (functional) > 200 uM Inhibition of human T-lymphocyte cell line (CEM) growth ChEMBL. 15658861
IC50 (functional) > 200 uM Inhibition of human T-lymphocyte cell line (Molt4/C8) growth ChEMBL. 15658861
IC50 (functional) > 200 uM Inhibition of murine leukemia cells (L1210) growth ChEMBL. 15658861
IC50 (functional) > 200 uM Inhibition of human T-lymphocyte cell line (CEM) growth ChEMBL. 15658861
IC50 (functional) > 200 uM Inhibition of human T-lymphocyte cell line (Molt4/C8) growth ChEMBL. 15658861
MCC (functional) >= 20 ug ml-1 Minimum cytotoxic concentration of compound that causes alteration of cell morphology in human embryonic lung cells ChEMBL. 15658861
MCC (functional) >= 20 ug ml-1 Minimum cytotoxic concentration of compound that causes alteration of cell morphology in human embryonic lung cells ChEMBL. 15658861

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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