Detailed information for compound 1498263

Basic information

Technical information
  • TDR Targets ID: 1498263
  • Name: N-(furan-2-ylmethyl)-3-[5-[2-[(3-methylphenyl )amino]-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[ 1,2-c]quinazolin-2-yl]propanamide
  • MW: 515.584 | Formula: C27H25N5O4S
  • H donors: 2 H acceptors: 3 LogP: 2.98 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(CCC1N=c2n(C1=O)c(SCC(=O)Nc1cccc(c1)C)nc1c2cccc1)NCc1ccco1
  • InChi: 1S/C27H25N5O4S/c1-17-6-4-7-18(14-17)29-24(34)16-37-27-31-21-10-3-2-9-20(21)25-30-22(26(35)32(25)27)11-12-23(33)28-15-19-8-5-13-36-19/h2-10,13-14,22H,11-12,15-16H2,1H3,(H,28,33)(H,29,34)
  • InChiKey: JBSNHOVJAMUNIF-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(2-furylmethyl)-3-[5-[2-[(3-methylphenyl)amino]-2-oxo-ethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
  • N-(2-furylmethyl)-3-[5-[[2-[(3-methylphenyl)amino]-2-oxoethyl]thio]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
  • N-(2-furylmethyl)-3-[3-keto-5-[[2-keto-2-[(3-methylphenyl)amino]ethyl]thio]-2H-imidazo[1,2-c]quinazolin-2-yl]propionamide
  • N-(furan-2-ylmethyl)-3-[5-[2-[(3-methylphenyl)amino]-2-oxo-ethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
  • C336-0074
  • NCGC00107746-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470

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 vivax lysine-specific histone demethylase 1, putative 0.0111 0.0929 1
Plasmodium vivax hypothetical protein, conserved 0.0111 0.0929 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0111 0.0929 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0111 0.0929 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.0929 0.3487
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0111 0.0929 0.5
Onchocerca volvulus 0.0286 0.3092 1
Onchocerca volvulus 0.0111 0.0929 0.3003
Leishmania major UDP-galactopyranose mutase 0.0111 0.0929 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0111 0.0929 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2663 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.0929 0.3487
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0111 0.0929 0.0929
Brugia malayi amine oxidase, flavin-containing family protein 0.0111 0.0929 0.3487
Brugia malayi hypothetical protein 0.0111 0.0929 0.3487
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0111 0.0929 0.0929
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0845 1 0.5
Echinococcus multilocularis protoporphyrinogen oxidase 0.0845 1 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0111 0.0929 0.5
Plasmodium falciparum protoporphyrinogen oxidase 0.0111 0.0929 0.5
Plasmodium vivax hypothetical protein, conserved 0.0111 0.0929 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0111 0.0929 0.1077
Echinococcus multilocularis 0.0111 0.0929 0.0929
Trypanosoma cruzi UDP-galactopyranose mutase 0.0111 0.0929 0.5
Schistosoma mansoni amine oxidase 0.0111 0.0929 0.0929
Echinococcus granulosus protoporphyrinogen oxidase 0.0733 0.8626 1
Toxoplasma gondii histone lysine-specific demethylase 0.0111 0.0929 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0111 0.0929 0.1077
Loa Loa (eye worm) hypothetical protein 0.0111 0.0929 0.3487
Schistosoma mansoni amine oxidase 0.0111 0.0929 0.0929
Loa Loa (eye worm) hypothetical protein 0.0111 0.0929 0.3487
Loa Loa (eye worm) hypothetical protein 0.0111 0.0929 0.3487
Brugia malayi Pre-SET motif family protein 0.0251 0.2663 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.0929 0.3487
Brugia malayi SWIRM domain containing protein 0.0111 0.0929 0.3487
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3092 0.5
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0845 1 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0845 1 1
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.0733 0.8626 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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