Detailed information for compound 1450866

Basic information

Technical information
  • TDR Targets ID: 1450866
  • Name: [6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]hy drazine
  • MW: 349.613 | Formula: C14H10BrClN4
  • H donors: 2 H acceptors: 2 LogP: 4.09 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNc1nc2ccc(cc2c(n1)c1ccccc1Cl)Br
  • InChi: 1S/C14H10BrClN4/c15-8-5-6-12-10(7-8)13(19-14(18-12)20-17)9-3-1-2-4-11(9)16/h1-7H,17H2,(H,18,19,20)
  • InChiKey: JVJKQFMIRXQVLM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [6-bromo-4-(2-chlorophenyl)-2-quinazolinyl]hydrazine
  • A2183/0091751
  • ChemDiv1_002017
  • MLS001205136
  • SMR000515810
  • ZINC00083418
  • BAS 00990548
  • [6-Bromo-4-(2-chloro-phenyl)-quinazolin-2-yl]-hydrazine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi RNA binding protein 0.0076 0.2929 0.2929
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2929 0.2929
Schistosoma mansoni jumonji domain containing protein 0.0092 0.3817 0.4205
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2929 0.2929
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0936 0.0936
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0997 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.42 0.469
Brugia malayi Bromodomain containing protein 0.0035 0.05 0.05
Brugia malayi jmjC domain containing protein 0.0115 0.5211 0.5211
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0997 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.05 0.05
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0997 0.5
Brugia malayi jmjC domain containing protein 0.0043 0.0936 0.0936
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.42 0.42
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.42 0.3894
Loa Loa (eye worm) RNA binding protein 0.0076 0.2929 0.2929
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2929 0.3078
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0997 0.0523
Plasmodium falciparum phd finger protein, putative 0.0035 0.05 1
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0997 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.5211 0.4959
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0997 1
Schistosoma mansoni alpha glucosidase 0.0044 0.0997 0.063
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.42 0.42
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0997 1
Brugia malayi PHD-finger family protein 0.0035 0.05 0.05
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2929 0.3078
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.42 0.469
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1311 0.0854
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.2705 0.2705
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0997 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0936 0.0459
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2929 0.2556
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0997 0.5
Trypanosoma brucei glucosidase, putative 0.0044 0.0997 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0936 0.0552
Schistosoma mansoni alpha-glucosidase 0.0169 0.8389 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0997 0.0523
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0997 0.5
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.05 0.5017
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.05 0.05
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.42 0.469
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0997 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0997 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0997 0.5
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0997 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.42 0.3894
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1311 0.0854
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.05 0.5017
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2929 0.2929
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2929 0.3078
Schistosoma mansoni alpha-glucosidase 0.0169 0.8389 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0997 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0936 0.0552
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.42 0.3894
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2929 0.3078
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0997 0.0997
Loa Loa (eye worm) hypothetical protein 0.006 0.198 0.198
Echinococcus granulosus tar DNA binding protein 0.0076 0.2929 0.2556
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.5211 0.4959
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0997 0.0997
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0936 0.0459
Plasmodium vivax hypothetical protein, conserved 0.0035 0.05 1
Giardia lamblia PHD finger protein 15 0.0035 0.05 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2929 0.3078
Onchocerca volvulus 0.0114 0.5122 1
Brugia malayi TAR-binding protein 0.0076 0.2929 0.2929
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0997 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.42 0.3894

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 2.5119 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) = 22.3872 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] 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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