Detailed information for compound 1895298

Basic information

Technical information
  • TDR Targets ID: 1895298
  • Name: 8-chloro-6-phenyl-4H-imidazo[1,2-a][1,4]benzo diazepin-4-ol
  • MW: 309.75 | Formula: C17H12ClN3O
  • H donors: 1 H acceptors: 2 LogP: 2.87 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)C(=NC(c1n2ccn1)O)c1ccccc1
  • InChi: 1S/C17H12ClN3O/c18-12-6-7-14-13(10-12)15(11-4-2-1-3-5-11)20-17(22)16-19-8-9-21(14)16/h1-10,17,22H
  • InChiKey: XWGKDETWLFZZQE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis Small ubiquitin modifier 2 0.0031 0.0883 0.1492
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0475 0.3449
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0011 0.0019
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0006 0.0011 0.0019
Leishmania major small ubiquitin protein, putative 0.0031 0.0883 1
Brugia malayi N-terminal motif family protein 0.0185 0.6247 1
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0102 0.0146
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0475 0.3449
Loa Loa (eye worm) hypothetical protein 0.002 0.0475 0.0744
Loa Loa (eye worm) hypothetical protein 0.0009 0.0102 0.0146
Loa Loa (eye worm) hypothetical protein 0.0009 0.0102 0.0146
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0475 0.3449
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0475 0.3449
Schistosoma mansoni dishevelled 0.0009 0.0102 0.0175
Brugia malayi DIX domain containing protein 0.0009 0.0102 0.0146
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0883 1
Schistosoma mansoni DNA polymerase eta 0.002 0.0475 0.0812
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0475 0.3449
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0102 0.0156
Echinococcus granulosus geminin 0.0173 0.5851 1
Echinococcus granulosus dna polymerase eta 0.002 0.0475 0.0795
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0102 0.0156
Echinococcus granulosus Small ubiquitin modifier 2 0.0031 0.0883 0.1492
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0102 0.0146
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0292 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0475 0.5326
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0475 0.3449
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0102 0.0156
Schistosoma mansoni dishevelled 0.0009 0.0102 0.0175
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0011 0.0019
Echinococcus granulosus ubiquitin 0.0011 0.0169 0.027
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0475 0.3449
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0475 0.0812
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0102 0.0156
Echinococcus multilocularis dna polymerase kappa 0.002 0.0475 0.0795
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0102 0.0156
Treponema pallidum hypothetical protein 0.0292 1 0.5
Schistosoma mansoni ubiquitin-like protein sumo/smt3-related 0.0031 0.0883 0.1509
Trypanosoma brucei unspecified product 0.002 0.0475 0.3449
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0102 0.0156
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0102 0.0156
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0475 0.5326
Loa Loa (eye worm) hypothetical protein 0.0185 0.6247 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0475 0.3449
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0292 1 1
Echinococcus multilocularis ubiquitin 0.0011 0.0169 0.027
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0292 1 1
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0102 0.0146
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0475 0.3449
Schistosoma mansoni hypothetical protein 0.0173 0.5851 1
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0011 0.0019
Brugia malayi Ubiquitin-like protein SMT3 0.0031 0.0883 0.1397
Entamoeba histolytica ubiquitin like protein 0.0031 0.0883 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0475 0.0812
Onchocerca volvulus 0.0011 0.0169 0.0252
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0102 0.0156
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0475 0.0795
Trypanosoma cruzi small ubiquitin protein, putative 0.0031 0.0883 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0102 0.0146
Echinococcus multilocularis dna polymerase eta 0.002 0.0475 0.0795
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0102 0.0146
Schistosoma mansoni ras GTP exchange factor 0.0006 0.0011 0.0019
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0102 0.0146
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0102 0.0156
Schistosoma mansoni dep domain containing protein 0.0009 0.0102 0.0175
Echinococcus multilocularis geminin 0.0173 0.5851 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0475 0.0744
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0475 0.0744
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0475 0.5326
Loa Loa (eye worm) hypothetical protein 0.0009 0.0102 0.0146
Onchocerca volvulus 0.0009 0.0102 0.0146
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0475 0.5326
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0102 0.0175
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0475 0.3449
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0102 0.0175
Trichomonas vaginalis ubiquitin, putative 0.0011 0.0169 0.1807
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0475 0.3449
Toxoplasma gondii small ubiquitin family modifier, putative 0.0031 0.0883 1
Entamoeba histolytica hypothetical protein 0.0011 0.0169 0.1807
Schistosoma mansoni hypothetical protein 0.0173 0.5851 1
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0475 0.5326
Trypanosoma cruzi small ubiquitin protein, putative 0.0031 0.0883 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0475 0.0744
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0475 0.5326
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0292 1 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0475 0.5326
Brugia malayi hypothetical protein 0.0009 0.0102 0.0146
Brugia malayi hypothetical protein 0.0011 0.0169 0.0252
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0475 0.3449
Trypanosoma brucei small ubiquitin-related modifier 0.0031 0.0883 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0475 0.5326
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0102 0.0175
Echinococcus granulosus dna polymerase kappa 0.002 0.0475 0.0795
Loa Loa (eye worm) SMO-1 protein 0.0031 0.0883 0.1397
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0102 0.0156
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0185 0.6247 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0169 0.0252
Giardia lamblia Sentrin 0.0031 0.0883 1
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0169 0.1807
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0475 0.0795
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0475 0.3449
Brugia malayi hypothetical protein 0.0009 0.0102 0.0146
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0475 0.3449

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) > 25 mg kg-1 Effect on motor activity in ip dosed albino CF-1 mouse by chimney test ChEMBL. 31483

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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