Detailed information for compound 1199677

Basic information

Technical information
  • TDR Targets ID: 1199677
  • Name: 7-bromo-5-(2-chlorophenyl)-1,3,4,5-tetrahydro -1,4-benzodiazepin-2-one
  • MW: 351.626 | Formula: C15H12BrClN2O
  • H donors: 2 H acceptors: 1 LogP: 3.29 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CNC(c2c(N1)ccc(c2)Br)c1ccccc1Cl
  • InChi: 1S/C15H12BrClN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7,15,18H,8H2,(H,19,20)
  • InChiKey: DGRUSQDROUHISB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • EU-0001034
  • ChemDiv1_019172
  • 7-Bromo-5-(2-chloro-phenyl)-1,3,4,5-tetrahydro-benzo[e][1,4]diazepin-2-one
  • BAS 00462476
  • STOCK1S-79492

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
Brugia malayi Niemann-Pick C1 protein precursor 0.0109 0.2981 0.2981
Loa Loa (eye worm) hypothetical protein 0.0057 0.0432 0.0432
Schistosoma mansoni hypothetical protein 0.0164 0.5739 1
Schistosoma mansoni tar DNA-binding protein 0.0131 0.4104 0.389
Trichomonas vaginalis glucosylceramidase, putative 0.025 1 1
Schistosoma mansoni tar DNA-binding protein 0.0131 0.4104 0.389
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0131 0.4104 0.4104
Schistosoma mansoni hypothetical protein 0.0164 0.5739 1
Echinococcus granulosus Niemann Pick C1 protein 0.0109 0.2981 0.1056
Onchocerca volvulus Glucosylceramidase homolog 0.0164 0.5739 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.025 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.025 1 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0109 0.2981 0.4984
Echinococcus multilocularis tar DNA binding protein 0.0131 0.4104 0.7028
Schistosoma mansoni tar DNA-binding protein 0.0131 0.4104 0.389
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.6177 0.1027
Echinococcus granulosus Niemann Pick C1 protein 0.0155 0.5286 0.8532
Trichomonas vaginalis glucosylceramidase, putative 0.025 1 1
Brugia malayi TAR-binding protein 0.0131 0.4104 0.4104
Brugia malayi RNA binding protein 0.0131 0.4104 0.4104
Echinococcus granulosus tar DNA binding protein 0.0131 0.4104 0.47
Brugia malayi RNA recognition motif domain containing protein 0.0131 0.4104 0.4104
Loa Loa (eye worm) hypothetical protein 0.0109 0.2981 0.2981
Echinococcus multilocularis Niemann Pick C1 protein 0.0155 0.5286 0.9177
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.6177 0.1027
Echinococcus multilocularis expressed conserved protein 0.0102 0.2655 0.4392
Schistosoma mansoni tar DNA-binding protein 0.0131 0.4104 0.389
Schistosoma mansoni tar DNA-binding protein 0.0131 0.4104 0.389
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.025 1 1
Loa Loa (eye worm) TAR-binding protein 0.0131 0.4104 0.4104
Trichomonas vaginalis glucosylceramidase, putative 0.025 1 1
Echinococcus granulosus geminin 0.0164 0.5739 1
Echinococcus multilocularis geminin 0.0164 0.5739 1
Loa Loa (eye worm) RNA binding protein 0.0131 0.4104 0.4104
Trichomonas vaginalis glucosylceramidase, putative 0.025 1 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0109 0.2981 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.6535 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) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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) 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) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] 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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