Detailed information for compound 1628891

Basic information

Technical information
  • TDR Targets ID: 1628891
  • Name: 1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]pyrim idine-2,4-dione
  • MW: 182.177 | Formula: C8H10N2O3
  • H donors: 2 H acceptors: 3 LogP: -1.02 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@H]1C[C@H]1n1ccc(=O)[nH]c1=O
  • InChi: 1S/C8H10N2O3/c11-4-5-3-6(5)10-2-1-7(12)9-8(10)13/h1-2,5-6,11H,3-4H2,(H,9,12,13)/t5-,6+/m0/s1
  • InChiKey: UMIBAQGXMVUTBS-NTSWFWBYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(1R,2R)-2-methylolcyclopropyl]pyrimidine-2,4-quinone
  • NCI60_028644

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
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.1134 0.9595 1
Trypanosoma brucei acetyl-CoA carboxylase 0.1175 1 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0448 0.2839 0.2839
Entamoeba histolytica protein kinase domain containing protein 0.0333 0.1712 1
Chlamydia trachomatis biotin carboxylase 0.0406 0.2433 1
Toxoplasma gondii pyruvate carboxylase 0.0448 0.2839 0.2839
Loa Loa (eye worm) AUR protein kinase 0.0333 0.1712 0.1732
Trypanosoma cruzi aurora B kinase, putative 0.0333 0.1712 0.306
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0333 0.1712 1
Leishmania major protein kinase, putative 0.0333 0.1712 0.1712
Trypanosoma cruzi acetyl-CoA carboxylase 0.0727 0.5594 1
Loa Loa (eye worm) AUR protein kinase 0.0333 0.1712 0.1732
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0448 0.2839 1
Giardia lamblia Aurora kinase 0.0333 0.1712 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.085 0.6803 1
Brugia malayi serine/threonine protein kinase 6 0.0333 0.1712 0.1732
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0448 0.2839 0.5074
Schistosoma mansoni serine/threonine protein kinase 0.0333 0.1712 0.1712
Trypanosoma brucei aurora B kinase 0.0333 0.1712 0.1712
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.1175 1 1
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0333 0.1712 1
Toxoplasma gondii aurora kinase 0.0333 0.1712 0.1712
Toxoplasma gondii AGC kinase 0.0165 0.0061 0.0061
Brugia malayi serine/threonine-protein kinase 6 0.0333 0.1712 0.1732
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0448 0.2839 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0448 0.2839 0.5074
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0333 0.1712 1
Trichomonas vaginalis AGC family protein kinase 0.0333 0.1712 1
Brugia malayi serine/threonine kinase 12 0.0333 0.1712 0.1732
Mycobacterium ulcerans pyruvate carboxylase 0.0448 0.2839 1
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0448 0.2839 1
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.1175 1 1
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.1175 1 1
Entamoeba histolytica protein kinase , putative 0.0333 0.1712 1
Schistosoma mansoni acetyl-CoA carboxylase 0.1175 1 1
Entamoeba histolytica acetyl-coA carboxylase, putative 0.02 0.0405 0.2087
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0448 0.2839 0.2839
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.085 0.6803 1
Echinococcus multilocularis aurora kinase A 0.0333 0.1712 0.1712
Loa Loa (eye worm) AUR protein kinase 0.0333 0.1712 0.1732
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0448 0.2839 0.2839
Entamoeba histolytica protein kinase, putative 0.0333 0.1712 1
Trichomonas vaginalis AGC family protein kinase 0.0333 0.1712 1
Echinococcus granulosus aurora kinase A 0.0333 0.1712 0.1712
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0333 0.1712 0.1712
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0448 0.2839 1
Entamoeba histolytica protein kinase, putative 0.0333 0.1712 1
Schistosoma mansoni pyruvate carboxylase 0.0448 0.2839 0.2839
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0448 0.2839 1
Leishmania major carboxylase, putative 0.0448 0.2839 0.2839
Trichomonas vaginalis AGC family protein kinase 0.0333 0.1712 1
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0448 0.2839 0.2839
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0333 0.1712 0.1712
Brugia malayi Carboxyl transferase domain containing protein 0.1134 0.9595 1
Trichomonas vaginalis AGC family protein kinase 0.0333 0.1712 1
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0448 0.2839 1
Schistosoma mansoni protein kinase 0.0333 0.1712 0.1712
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0448 0.2839 0.2839
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0448 0.2839 0.2839
Trypanosoma brucei unspecified product 0.0294 0.1329 0.1329
Leishmania major acetyl-CoA carboxylase, putative 0.1175 1 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.0165 0.0061 0.0061
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0448 0.2839 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0448 0.2839 0.2839

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast 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 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 NCI-H23 Non-Small Cell Lung 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 HOP-92 Non-Small Cell Lung 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 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 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 DU-145 Prostate 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

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

No literature references available for this target.

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