Detailed information for compound 1650652

Basic information

Technical information
  • TDR Targets ID: 1650652
  • Name: 3-methyl-4,10-dihydro-3H-pyrimido[2,1-b]benzi midazol-2-one
  • MW: 201.225 | Formula: C11H11N3O
  • H donors: 1 H acceptors: 2 LogP: 1.16 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2nc3c(n2CC1C)cccc3
  • InChi: 1S/C11H11N3O/c1-7-6-14-9-5-3-2-4-8(9)12-11(14)13-10(7)15/h2-5,7H,6H2,1H3,(H,12,13,15)
  • InChiKey: WGEDKBYCFLUIEM-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • NSC683385
  • AIDS-040492
  • AIDS040492
  • NCI60_029883
  • 3-Methyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2(1H)-one

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
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0018 0.0267 0.0278
Loa Loa (eye worm) hypothetical protein 0.0016 0.0189 0.0197
Loa Loa (eye worm) transmembrane cell adhesion receptor mua-3 0.0019 0.0318 0.0331
Onchocerca volvulus 0.0024 0.0531 0.0413
Brugia malayi notch-like transmembrane receptor 0.0248 0.9604 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0267 0.0278
Brugia malayi EGF-like domain containing protein 0.0024 0.0531 0.0553
Loa Loa (eye worm) hypothetical protein 0.0248 0.9604 1
Brugia malayi Calcium binding EGF domain containing protein 0.0026 0.0585 0.0609
Brugia malayi EGF-like domain containing protein 0.0014 0.0123 0.0128
Loa Loa (eye worm) hypothetical protein 0.0018 0.0267 0.0278
Onchocerca volvulus Neurogenic locus notch homolog 0.0258 1 1
Echinococcus granulosus notch 0.0031 0.0798 0.0684
Schistosoma mansoni notch 0.0104 0.3771 1
Echinococcus multilocularis notch 0.0031 0.0798 0.0684
Loa Loa (eye worm) Notch2 0.0162 0.6112 0.6365
Loa Loa (eye worm) hypothetical protein 0.0014 0.0123 0.0128
Brugia malayi Calcium binding EGF domain containing protein 0.0026 0.0585 0.0609
Brugia malayi EGF-like domain containing protein 0.0136 0.507 0.5279
Loa Loa (eye worm) hypothetical protein 0.0016 0.0189 0.0197
Loa Loa (eye worm) hypothetical protein 0.0014 0.0123 0.0128
Loa Loa (eye worm) hypothetical protein 0.0024 0.0531 0.0553
Toxoplasma gondii microneme protein MIC12 0.0019 0.0318 0.5983
Loa Loa (eye worm) hypothetical protein 0.0026 0.0585 0.0609
Loa Loa (eye worm) hypothetical protein 0.0016 0.0189 0.0197
Loa Loa (eye worm) hypothetical protein 0.0026 0.0585 0.0609
Onchocerca volvulus 0.0024 0.0531 0.0413
Toxoplasma gondii notch (dsl) domain-containing protein 0.0024 0.0531 1
Schistosoma mansoni notch 0.0031 0.0798 0.1852
Loa Loa (eye worm) notch protein 0.0026 0.0585 0.0609
Echinococcus multilocularis neurogenic locus notch protein 4 0.0016 0.0189 0.0067
Loa Loa (eye worm) hypothetical protein 0.0024 0.0506 0.0527
Toxoplasma gondii sushi domain (scr repeat) domain-containing protein 0.0024 0.0531 1
Onchocerca volvulus Neurogenic locus notch homolog 0.0024 0.0531 0.0413
Loa Loa (eye worm) hypothetical protein 0.0014 0.0123 0.0128
Onchocerca volvulus 0.0018 0.0267 0.0146
Loa Loa (eye worm) hypothetical protein 0.0018 0.0267 0.0278
Toxoplasma gondii sushi domain (scr repeat) domain-containing protein 0.0024 0.0531 1
Schistosoma mansoni hypothetical protein 0.0024 0.0531 0.1119
Echinococcus multilocularis neurogenic locus notch protein 0.0258 1 1
Echinococcus granulosus neurogenic locus notch protein 4 0.0016 0.0189 0.0067
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0042 0.1261 0.1152

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.235 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
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 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 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 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 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 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

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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