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

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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