Detailed information for compound 1385768

Basic information

Technical information
  • TDR Targets ID: 1385768
  • Name: N-(2-cyclobutyl-4-oxoquinazolin-3-yl)thiophen e-2-carboxamide
  • MW: 325.385 | Formula: C17H15N3O2S
  • H donors: 1 H acceptors: 2 LogP: 3.05 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccs1)Nn1c(nc2c(c1=O)cccc2)C1CCC1
  • InChi: 1S/C17H15N3O2S/c21-16(14-9-4-10-23-14)19-20-15(11-5-3-6-11)18-13-8-2-1-7-12(13)17(20)22/h1-2,4,7-11H,3,5-6H2,(H,19,21)
  • InChiKey: YPDVQWVQTVSTQS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-cyclobutyl-4-oxo-quinazolin-3-yl)thiophene-2-carboxamide
  • N-(2-cyclobutyl-4-oxo-3-quinazolinyl)-2-thiophenecarboxamide
  • N-(2-cyclobutyl-4-keto-quinazolin-3-yl)thiophene-2-carboxamide
  • Thiophene-2-carboxylic acid (2-cyclobutyl-4-oxo-4H-quinazolin-3-yl)-amide
  • ZINC01364989
  • MLS000710135
  • SMR000287302
  • ASN 06951216

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Plasmodium falciparum 3D7 M1-family aminopeptidase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva alpha-aminoacylpeptide hydrolase, putative Get druggable targets OG5_130542 All targets in OG5_130542
Toxoplasma gondii aminopeptidase N, putative Get druggable targets OG5_130542 All targets in OG5_130542
Neospora caninum hypothetical protein Get druggable targets OG5_130542 All targets in OG5_130542
Toxoplasma gondii aminopeptidase N protein Get druggable targets OG5_130542 All targets in OG5_130542
Neospora caninum Aminopeptidase N (EC 3.4.11.2), related Get druggable targets OG5_130542 All targets in OG5_130542
Plasmodium berghei M1-family alanyl aminopeptidase, putative Get druggable targets OG5_130542 All targets in OG5_130542
Cryptosporidium parvum zincin/aminopeptidase N like metalloprotease Get druggable targets OG5_130542 All targets in OG5_130542
Cryptosporidium hominis aminopeptidase N Get druggable targets OG5_130542 All targets in OG5_130542
Toxoplasma gondii aminopeptidase n, putative Get druggable targets OG5_130542 All targets in OG5_130542
Plasmodium falciparum M1-family alanyl aminopeptidase Get druggable targets OG5_130542 All targets in OG5_130542
Plasmodium vivax M1-family alanyl aminopeptidase, putative Get druggable targets OG5_130542 All targets in OG5_130542
Plasmodium knowlesi M1-family alanyl aminopeptidase, putative Get druggable targets OG5_130542 All targets in OG5_130542
Babesia bovis aminopeptidase, putative Get druggable targets OG5_130542 All targets in OG5_130542
Plasmodium yoelii m1-family aminopeptidase Get druggable targets OG5_130542 All targets in OG5_130542
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
Entamoeba histolytica carbonic anhydrase, putative 0.0498 0.812 0.5
Mycobacterium ulcerans carbonic anhydrase 0.0498 0.812 0.5
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0375 0.3976 1
Echinococcus multilocularis carbonic anhydrase II 0.0553 1 1
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0283 0.0833 0.5
Schistosoma mansoni carbonic anhydrase 0.0498 0.812 0.812
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0553 1 1
Toxoplasma gondii aminopeptidase n, putative 0.0375 0.3976 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0553 1 0.5
Leishmania major carbonic anhydrase-like protein 0.0553 1 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0553 1 0.5
Toxoplasma gondii aminopeptidase N protein 0.0375 0.3976 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0553 1 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0553 1 1
Echinococcus granulosus carbonic anhydrase II 0.0553 1 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0553 1 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0375 0.3976 0.5
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0498 0.812 0.5
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0553 1 1
Toxoplasma gondii aminopeptidase N, putative 0.0375 0.3976 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0553 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8.54 um PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopeptidase (M1AAP). Inhibition of the rate of hydrolysis of fluorogenic peptide substrate (H-Leu-NHMec). Secondary screen (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) > 59.642 um PUBCHEM_BIOASSAY: Counterscreen for inhibitors of M1 and M17 aminopeptidases: QFRET-based biochemical high throughput dose response assay for inhibitors of the Cathepsin L proteinase (CTSL1). (Class of assay: confirmatory) [Related pubchem assays: 1619 (Screening assay (M17LAP inhibitors).), 1445 (Screening Assay (M1AAP inhibitors).)] ChEMBL. No reference
IC50 (binding) > 73.456 um PUBCHEM_BIOASSAY: Counterscreen for inhibitors of M1 and M17 aminopeptidases: QFRET-based biochemical high throughput dose response assay for inhibitors of the Plasmodium falciparum M18 Aspartyl Aminopeptidase (PFM18AAP). (Class of assay: confirmatory) [Related PubChem assays: 1619 (Screening assay (M17LAP inhibitors).), 1445 (Screening assay (M1AAP inhibitors).)] ChEMBL. No 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) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.