Detailed information for compound 1635088

Basic information

Technical information
  • TDR Targets ID: 1635088
  • Name: ethyl (5aS,9aS)-2-oxo-5a,6,7,8,9,9a-hexahydro -1H-pyrimido[1,2-a]benzimidazole-3-carboxylat e
  • MW: 263.292 | Formula: C13H17N3O3
  • H donors: 1 H acceptors: 2 LogP: 0.62 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cn2c(=N[C@@H]3[C@@H]2CCCC3)[nH]c1=O
  • InChi: 1S/C13H17N3O3/c1-2-19-12(18)8-7-16-10-6-4-3-5-9(10)14-13(16)15-11(8)17/h7,9-10H,2-6H2,1H3,(H,14,15,17)/t9-,10-/m0/s1
  • InChiKey: ZKGBYHFBCUEAFR-UWVGGRQHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5aS,9aS)-2-oxo-5a,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester
  • (5aS,9aS)-2-keto-5a,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester
  • NCI60_030751
  • NSC685481

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
Toxoplasma gondii GAF domain-containing protein 0.0081 0.0515 0.1577
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0112 0.0839 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0112 0.0839 1
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.0839 1
Toxoplasma gondii hypothetical protein 0.0081 0.0515 0.1577
Toxoplasma gondii hypothetical protein 0.0081 0.0515 0.1577
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0112 0.0839 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0112 0.0839 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0112 0.0839 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0112 0.0839 1
Mycobacterium ulcerans putative regulatory protein 0.0081 0.0515 0.5
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0081 0.0515 0.5
Plasmodium vivax hypothetical protein, conserved 0.0081 0.0515 1
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0112 0.0839 0.0839
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0112 0.0839 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0112 0.0839 1
Giardia lamblia hypothetical protein 0.0031 0 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0112 0.0839 1
Toxoplasma gondii PAN domain-containing protein 0.0347 0.3267 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0112 0.0839 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0112 0.0839 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0112 0.0839 1
Giardia lamblia Hypothetical protein 0.0031 0 0.5
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0081 0.0515 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0112 0.0839 1
Loa Loa (eye worm) hypothetical protein 0.0968 0.9676 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.0839 0.0867
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.0515 0.6141
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0112 0.0839 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0112 0.0839 0.0839
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0112 0.0839 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0112 0.0839 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0112 0.0839 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0112 0.0839 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0112 0.0839 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0031 0 0.5
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0112 0.0839 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0112 0.0839 1
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.0515 0.6141
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0081 0.0515 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.0515 0.6141
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0112 0.0839 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0112 0.0839 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0112 0.0839 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0112 0.0839 1
Plasmodium falciparum GAF domain-related protein, putative 0.0081 0.0515 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0112 0.0839 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0112 0.0839 1
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0999 1 1
Toxoplasma gondii PAN domain-containing protein 0.0347 0.3267 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0112 0.0839 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0112 0.0839 1
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.0515 0.6141
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0112 0.0839 1
Loa Loa (eye worm) hypothetical protein 0.0886 0.8838 0.9133
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0999 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0112 0.0839 1
Mycobacterium leprae conserved hypothetical protein 0.0081 0.0515 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0112 0.0839 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0112 0.0839 1
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0112 0.0839 0.0839
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0112 0.0839 1
Toxoplasma gondii hypothetical protein 0.0081 0.0515 0.1577
Mycobacterium ulcerans putative regulatory protein 0.0081 0.0515 0.5
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0112 0.0839 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0112 0.0839 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0112 0.0839 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0112 0.0839 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 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 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 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 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 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 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

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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