Detailed information for compound 1225797

Basic information

Technical information
  • TDR Targets ID: 1225797
  • Name: 2-chloro-N-(2-methyl-4-oxoquinazolin-3-yl)-4- nitrobenzamide
  • MW: 358.736 | Formula: C16H11ClN4O4
  • H donors: 1 H acceptors: 4 LogP: 2.5 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1Cl)[N+](=O)[O-])Nn1c(C)nc2c(c1=O)cccc2
  • InChi: 1S/C16H11ClN4O4/c1-9-18-14-5-3-2-4-12(14)16(23)20(9)19-15(22)11-7-6-10(21(24)25)8-13(11)17/h2-8H,1H3,(H,19,22)
  • InChiKey: PRBYAOYPISJZNW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-N-(2-methyl-4-oxo-quinazolin-3-yl)-4-nitro-benzamide
  • 2-chloro-N-(2-methyl-4-oxo-3-quinazolinyl)-4-nitrobenzamide
  • 2-chloro-N-(4-keto-2-methyl-quinazolin-3-yl)-4-nitro-benzamide
  • 2-chloro-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)-4-nitrobenzamide
  • MLS000723598
  • SMR000305193
  • Oprea1_633762

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
Loa Loa (eye worm) hypothetical protein 0.0224 0.1994 0.5134
Chlamydia trachomatis sulfate transporter 0.0033 0.0087 0.5
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0286 0.2618 0.2754
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0033 0.0087 0.0087
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0049 0.0255 0.12
Schistosoma mansoni hypothetical protein 0.0067 0.0433 0.0547
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0072 0.0185
Schistosoma mansoni carbonic anhydrase-related 0.0224 0.1994 0.2917
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0072 0.0185
Schistosoma mansoni hypothetical protein 0.0224 0.1994 0.2917
Leishmania major carbonic anhydrase-like protein 0.0413 0.3884 1
Echinococcus multilocularis neuropeptide s receptor 0.0463 0.4384 0.6546
Mycobacterium ulcerans carbonic anhydrase 0.0049 0.0255 0.0255
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0413 0.3884 1
Onchocerca volvulus Putative sulfate transporter 0.0205 0.1807 1
Schistosoma mansoni carbonic anhydrase-related 0.0224 0.1994 0.2917
Echinococcus multilocularis carbonic anhydrase 0.0224 0.1994 0.2917
Brugia malayi hypothetical protein 0.0121 0.0964 0.2482
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0224 0.1994 0.5134
Loa Loa (eye worm) hypothetical protein 0.0031 0.0072 0.0185
Onchocerca volvulus Huntingtin homolog 0.0121 0.0964 0.5336
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0976 0.9506 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0413 0.3884 1
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0033 0.0087 0.0087
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0413 0.3884 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0413 0.3884 0.5787
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0224 0.1994 0.5134
Echinococcus multilocularis geminin 0.017 0.1455 0.21
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0743 0.1914
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0743 0.1914
Leishmania major carbonic anhydrase family protein, putative 0.0049 0.0255 0.0656
Loa Loa (eye worm) hypothetical protein 0.0067 0.0433 0.1114
Onchocerca volvulus 0.0205 0.1807 1
Trichomonas vaginalis conserved hypothetical protein 0.1026 1 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0224 0.1994 0.5134
Schistosoma mansoni carbonic anhydrase 0.0224 0.1994 0.2917
Loa Loa (eye worm) hypothetical protein 0.0098 0.0743 0.1914
Schistosoma mansoni carbonic anhydrase 0.0049 0.0255 0.0278
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0413 0.3884 1
Echinococcus multilocularis microtubule associated protein 2 0.0691 0.666 1
Echinococcus multilocularis carbonic anhydrase II 0.0413 0.3884 0.5787
Echinococcus granulosus carbonic anhydrase 0.0224 0.1994 0.2917
Onchocerca volvulus Huntingtin homolog 0.0121 0.0964 0.5336
Echinococcus granulosus geminin 0.017 0.1455 0.21
Plasmodium vivax sulfate transporter, putative 0.0033 0.0087 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0691 0.666 1
Toxoplasma gondii hypothetical protein 0.0224 0.1994 1
Echinococcus granulosus carbonic anhydrase 0.0224 0.1994 0.2917
Schistosoma mansoni hypothetical protein 0.017 0.1455 0.21
Entamoeba histolytica carbonic anhydrase, putative 0.0049 0.0255 1
Loa Loa (eye worm) hypothetical protein 0.0224 0.1994 0.5134
Echinococcus multilocularis neuropeptide receptor A26 0.0463 0.4384 0.6546
Loa Loa (eye worm) hypothetical protein 0.0224 0.1994 0.5134
Mycobacterium leprae Probable transmembrane transport protein 0.0237 0.2124 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0072 0.0185
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0413 0.3884 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0224 0.1994 0.5134
Echinococcus multilocularis carbonic anhydrase 0.0224 0.1994 0.2917
Echinococcus granulosus neuropeptide s receptor 0.0463 0.4384 0.6546
Echinococcus multilocularis carbonic anhydrase 0.0224 0.1994 0.2917
Echinococcus granulosus microtubule associated protein 2 0.0691 0.666 1
Echinococcus granulosus neuropeptide receptor A26 0.0463 0.4384 0.6546
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0237 0.2124 0.2235
Loa Loa (eye worm) hypothetical protein 0.0121 0.0964 0.2482
Schistosoma mansoni carbonic anhydrase-related 0.0224 0.1994 0.2917
Schistosoma mansoni hypothetical protein 0.017 0.1455 0.21
Loa Loa (eye worm) hypothetical protein 0.0121 0.0964 0.2482
Loa Loa (eye worm) carbonic anhydrase 3 0.0413 0.3884 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0413 0.3884 0.5787
Echinococcus granulosus carbonic anhydrase II 0.0413 0.3884 0.5787
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0433 0.1114
Trypanosoma brucei carbonic anhydrase-like protein 0.0413 0.3884 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0743 0.1914
Trichomonas vaginalis conserved hypothetical protein 0.1026 1 0.5
Plasmodium falciparum carbonic anhydrase 0.0224 0.1994 1
Mycobacterium ulcerans integral membrane transporter 0.0033 0.0087 0.0087
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0224 0.1994 0.5134
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0224 0.1994 0.5134
Echinococcus granulosus carbonic anhydrase 0.0224 0.1994 0.2917

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.2753 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 (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) 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

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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