Detailed information for compound 1484162

Basic information

Technical information
  • TDR Targets ID: 1484162
  • Name: 2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[ 1,2-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxyp ropyl)acetamide
  • MW: 475.563 | Formula: C25H25N5O3S
  • H donors: 2 H acceptors: 2 LogP: 3.15 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCNC(=O)CSc1nc2ccccc2c2=NC(C(=O)n12)Cc1c[nH]c2c1cccc2
  • InChi: 1S/C25H25N5O3S/c1-33-12-6-11-26-22(31)15-34-25-29-20-10-5-3-8-18(20)23-28-21(24(32)30(23)25)13-16-14-27-19-9-4-2-7-17(16)19/h2-5,7-10,14,21,27H,6,11-13,15H2,1H3,(H,26,31)
  • InChiKey: CMLNKHKPNRVCBA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]thio]-N-(3-methoxypropyl)acetamide
  • 2-[[2-(1H-indol-3-ylmethyl)-3-keto-2H-imidazo[1,2-c]quinazolin-5-yl]thio]-N-(3-methoxypropyl)acetamide
  • 2-[[2-(1H-indol-3-ylmethyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxypropyl)ethanamide
  • SMR000030414
  • 2-{[2-(1H-indol-3-ylmethyl)-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]thio}-N-(3-methoxypropyl)acetamide
  • MLS000094861

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
Wolbachia endosymbiont of Brugia malayi glutamine synthetase 0.0123 0.0992 0.5
Echinococcus multilocularis glutamine synthetase 0.0489 1 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0142 0.1438 0.3785
Leishmania major glutamine synthetase, putative 0.0489 1 1
Mycobacterium ulcerans glutamine synthetase 0.0315 0.5701 1
Schistosoma mansoni hypothetical protein 0.0142 0.1438 0.0495
Loa Loa (eye worm) prolyl oligopeptidase 0.0216 0.3277 0.5748
Trypanosoma brucei Pyrophosphate-energized vacuolar membrane proton pump 2, putative 0.0342 0.6369 0.551
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0142 0.1438 0.3785
Schistosoma mansoni carbonic anhydrase-related 0.0142 0.1438 0.0495
Trichomonas vaginalis glutamine synthetase-bacteria, putative 0.0123 0.0992 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0237 0.3799 0.3116
Plasmodium falciparum V-type H(+)-translocating pyrophosphatase, putative 0.0342 0.6369 1
Brugia malayi glutamine synthetase 0.0175 0.2251 0.5926
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0142 0.1438 0.3785
Entamoeba histolytica glutamine synthetase, putative 0.0123 0.0992 0.5
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0237 0.3799 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0237 0.3799 0.2333
Mycobacterium leprae PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II) 0.0315 0.5701 0.5
Leishmania major vacuolar-type proton translocating pyrophosphatase 1, putative 0.0342 0.6369 0.551
Trypanosoma brucei glutamine synthetase, putative 0.0489 1 1
Plasmodium falciparum glutamine synthetase, putative 0.0315 0.5701 0.8645
Loa Loa (eye worm) carbonic anhydrase 3 0.0237 0.3799 0.6664
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0142 0.1438 0.2522
Trichomonas vaginalis glutamine synthetase, putative 0.0123 0.0992 0.5
Loa Loa (eye worm) hypothetical protein 0.0142 0.1438 0.2522
Brugia malayi prolyl oligopeptidase family protein 0.0216 0.3277 0.8626
Toxoplasma gondii V-type H(+)-translocating pyrophosphatase VP1 0.0342 0.6369 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.1438 0.2522
Plasmodium falciparum V-type K+-independent H+-translocating inorganic pyrophosphatase 0.0342 0.6369 1
Brugia malayi prolyl oligopeptidase family protein 0.0161 0.1912 0.5033
Loa Loa (eye worm) Gln-2 protein 0.0315 0.5701 1
Mycobacterium tuberculosis Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II) 0.0315 0.5701 1
Schistosoma mansoni carbonic anhydrase 0.0142 0.1438 0.0495
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0237 0.3799 0.2333
Mycobacterium ulcerans glutamine synthetase GlnA1 0.0315 0.5701 1
Plasmodium vivax vacuolar-type H+ pumping pyrophosphatase, putative 0.0342 0.6369 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0216 0.3277 0.2148
Trypanosoma brucei Pyrophosphate-energized vacuolar membrane proton pump 1 0.0342 0.6369 0.551
Schistosoma mansoni carbonic anhydrase-related 0.0142 0.1438 0.0495
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0237 0.3799 0.6664
Onchocerca volvulus Glutamine synthetase homolog 0.0315 0.5701 1
Trypanosoma cruzi vacuolar-type proton translocating pyrophosphatase 1 0.0342 0.6369 0.551
Leishmania major carbonic anhydrase-like protein 0.0237 0.3799 0.2333
Schistosoma mansoni carbonic anhydrase-related 0.0142 0.1438 0.0495
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0161 0.1912 0.1021
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0142 0.1438 0.3785
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0237 0.3799 0.3116
Trypanosoma cruzi Vacuolar proton pyrophosphatase 1, putative 0.0342 0.6369 0.551
Entamoeba histolytica glutamine synthetase, putative 0.0123 0.0992 0.5
Plasmodium vivax V-type H(+)-translocating pyrophosphatase, putative 0.0342 0.6369 1
Trypanosoma cruzi glutamine synthetase, putative 0.0489 1 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0237 0.3799 0.2333
Echinococcus multilocularis carbonic anhydrase II 0.0237 0.3799 0.2757
Schistosoma mansoni glutamine synthetase 1 2 (glutamate-amonia ligase) (gs) 0.0489 1 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0216 0.3277 0.2536
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0142 0.1438 0.3785
Echinococcus granulosus Dipeptidyl peptidase 9 0.0161 0.1912 0.0554
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0237 0.3799 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0161 0.1912 0.0554
Toxoplasma gondii glutamine synthetase, type I, putative 0.0315 0.5701 0.8836
Loa Loa (eye worm) hypothetical protein 0.0142 0.1438 0.2522
Toxoplasma gondii hypothetical protein 0.0142 0.1438 0.1405
Echinococcus granulosus carbonic anhydrase II 0.0237 0.3799 0.2757
Trypanosoma cruzi glutamine synthetase, putative 0.0489 1 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0216 0.3277 0.2148

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.2213 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 141.2538 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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