Detailed information for compound 1610707

Basic information

Technical information
  • TDR Targets ID: 1610707
  • Name: 6-[(cyclopentylamino)methyl]-1H-pyrimidine-2, 4-dione
  • MW: 209.245 | Formula: C10H15N3O2
  • H donors: 3 H acceptors: 2 LogP: -0.33 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1cc(CNC2CCCC2)[nH]c(=O)[nH]1
  • InChi: 1S/C10H15N3O2/c14-9-5-8(12-10(15)13-9)6-11-7-3-1-2-4-7/h5,7,11H,1-4,6H2,(H2,12,13,14,15)
  • InChiKey: GUQZAZIFPNMISR-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 6-[(cyclopentylamino)methyl]uracil
  • 6-((Cyclopentylamino)methyl)-2,4-pyrimidinediol
  • AIDS-148640
  • AIDS148640
  • NSC681449
  • NCI60_029075

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
Mycobacterium ulcerans DNA polymerase IV 0.0022 0 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0362 1 1
Entamoeba histolytica hypothetical protein 0.0041 0.0555 1
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0197 0.0197
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.1017 0.1017
Mycobacterium ulcerans DNA polymerase IV 0.0022 0 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0197 0.0197
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0 0.5
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.0362 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0197 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0555 0.0555
Loa Loa (eye worm) hypothetical protein 0.0362 1 1
Brugia malayi hypothetical protein 0.0029 0.0197 0.0197
Entamoeba histolytica hypothetical protein 0.0041 0.0555 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.0555 0.0555
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0197 0.5
Entamoeba histolytica hypothetical protein 0.0041 0.0555 1
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0362 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0197 0.0197
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0492 0.0492
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0362 1 1
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0362 1 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0362 1 1
Echinococcus granulosus lysosomal protective protein 0.0362 1 1
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.0327 0.8948 0.8948
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0555 0.0555
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0197 0.5
Echinococcus granulosus family S10 non peptidase ue S10 family 0.0327 0.8948 0.8948
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0362 1 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0362 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0555 0.0555
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.0362 1 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.1017 0.1017
Schistosoma mansoni hypothetical protein 0.0039 0.0492 0.0492
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0362 1 1
Entamoeba histolytica hypothetical protein 0.0041 0.0555 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0197 0.0197
Giardia lamblia DINP protein human, muc B family 0.0022 0 0.5
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0036 0.0409 0.0409
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0362 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0492 0.0492
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.1017 0.1017
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0197 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 0.1017 0.1017
Leishmania major hypothetical protein, conserved 0.0029 0.0197 0.0197
Brugia malayi hypothetical protein 0.0041 0.0555 0.0555
Echinococcus multilocularis lysosomal protective protein 0.0362 1 1

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 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 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 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 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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