Detailed information for compound 1065381

Basic information

Technical information
  • TDR Targets ID: 1065381
  • Name: 8-chloro-4-[4-(2,5-dimethylphenyl)piperazin-1 -yl]-[1,2,4]triazolo[4,3-a]quinoxaline
  • MW: 392.885 | Formula: C21H21ClN6
  • H donors: 0 H acceptors: 3 LogP: 4.94 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)n1cnnc1c(n2)N1CCN(CC1)c1cc(C)ccc1C
  • InChi: 1S/C21H21ClN6/c1-14-3-4-15(2)18(11-14)26-7-9-27(10-8-26)20-21-25-23-13-28(21)19-12-16(22)5-6-17(19)24-20/h3-6,11-13H,7-10H2,1-2H3
  • InChiKey: JRSKXTVXKYKERG-UHFFFAOYSA-N  

Network

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Synonyms

  • 8-chloro-4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-[1,2,4]triazolo[4,3-a]quinoxaline
  • C850-0312
  • NCGC00113710-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

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
Mycobacterium tuberculosis Conserved protein 0.0036 0.0793 0.0793
Entamoeba histolytica hypothetical protein 0.0037 0.0842 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.0793 0.0793
Loa Loa (eye worm) beta-lactamase 0.0036 0.0793 0.3122
Loa Loa (eye worm) hypothetical protein 0.0036 0.0793 0.3122
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0793 0.3963
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0842 0.3869
Loa Loa (eye worm) hypothetical protein 0.0036 0.0793 0.3122
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0839 0.4196
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0793 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1074 0.4231
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0793 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0793 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0793 0.3122
Loa Loa (eye worm) hypothetical protein 0.0074 0.2539 1
Toxoplasma gondii ABC1 family protein 0.0036 0.0793 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0185 0.0927
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0793 0.0793
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0793 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0793 0.3122
Loa Loa (eye worm) hypothetical protein 0.0036 0.0793 0.3122
Brugia malayi Bromodomain containing protein 0.0078 0.2748 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.1168 0.4598
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0793 0.0793
Schistosoma mansoni bromodomain containing protein 0.0066 0.2175 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0793 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0793 0.3122
Mycobacterium ulcerans beta-lactamase 0.0036 0.0793 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0959 0.3775
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0842 0.4207
Entamoeba histolytica hypothetical protein 0.0037 0.0842 1
Onchocerca volvulus 0.0036 0.0793 0.5
Mycobacterium ulcerans lipase LipD 0.0036 0.0793 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0793 0.0793
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0793 0.3644
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0793 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.2001 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0793 0.3122
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0793 0.2885
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0793 1
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0793 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0793 1
Leishmania major hypothetical protein, conserved 0.0036 0.0793 1
Trichomonas vaginalis esterase, putative 0.0036 0.0793 1
Entamoeba histolytica hypothetical protein 0.0037 0.0842 1
Echinococcus multilocularis zinc finger protein 0.002 0.004 0.0202
Mycobacterium leprae Probable lipase LipE 0.0036 0.0793 0.5
Onchocerca volvulus 0.0036 0.0793 0.5
Brugia malayi beta-lactamase 0.0036 0.0793 0.2885
Brugia malayi hypothetical protein 0.0037 0.0842 0.3063
Mycobacterium tuberculosis Conserved protein 0.0036 0.0793 0.0793
Brugia malayi Bromodomain containing protein 0.004 0.0955 0.3476
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0092 0.0363
Echinococcus granulosus zinc finger protein 0.002 0.004 0.0202
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.2001 1
Entamoeba histolytica hypothetical protein 0.0037 0.0842 1
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0793 0.0793
Schistosoma mansoni zinc finger protein 0.002 0.004 0.0186
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0793 1
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0793 0.0793
Schistosoma mansoni hypothetical protein 0.0021 0.0092 0.0423
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0185 0.0852
Mycobacterium ulcerans hypothetical protein 0.0036 0.0793 1
Giardia lamblia DINP protein human, muc B family 0.002 0 0.5
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0793 0.0793
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0793 0.3963
Brugia malayi beta-lactamase family protein 0.0036 0.0793 0.2885
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0793 0.3644
Brugia malayi PHD-finger family protein 0.0026 0.0301 0.1096
Schistosoma mansoni hypothetical protein 0.0037 0.0842 0.3869
Onchocerca volvulus 0.0036 0.0793 0.5
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0793 0.0793
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0842 0.4207
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0793 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0793 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0185 0.0927
Brugia malayi beta-lactamase family protein 0.0036 0.0793 0.2885
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0839 0.4196

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference

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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