Detailed information for compound 1588823

Basic information

Technical information
  • TDR Targets ID: 1588823
  • Name: N-[(3,4-dichlorophenyl)methyl]-3-[(3,4-dichlo rophenyl)methylamino]quinoxaline-2-carboxamid e
  • MW: 506.211 | Formula: C23H16Cl4N4O
  • H donors: 2 H acceptors: 3 LogP: 7.19 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1nc2ccccc2nc1NCc1ccc(c(c1)Cl)Cl)NCc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C23H16Cl4N4O/c24-15-7-5-13(9-17(15)26)11-28-22-21(30-19-3-1-2-4-20(19)31-22)23(32)29-12-14-6-8-16(25)18(27)10-14/h1-10H,11-12H2,(H,28,31)(H,29,32)
  • InChiKey: OESMNRPGZFUVDG-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(3,4-dichlorophenyl)methyl]-3-[(3,4-dichlorophenyl)methylamino]-2-quinoxalinecarboxamide
  • N-(3,4-dichlorobenzyl)-3-[(3,4-dichlorobenzyl)amino]quinoxaline-2-carboxamide
  • AIDS148553
  • N-(3,4-Dichlorobenzyl)-3-((3,4-dichlorobenzyl)amino)-2-quinoxalinecarboxamide
  • NSC681123
  • NCI60_028949
  • AIDS-148553

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
Trypanosoma brucei squalene synthase, putative 0.0257 0.0317 0.5
Schistosoma mansoni myelin transcription factor 1 myt1 0.0473 0.0844 0.0828
Echinococcus granulosus polycomb protein SCMH1 0.1312 0.2886 0.483
Schistosoma mansoni sex comb on midleg homolog 0.1312 0.2886 0.2874
Echinococcus multilocularis tumor suppressor p53 binding protein 1 0.1616 0.3626 0.6074
Loa Loa (eye worm) mbt repeat family protein 0.1366 0.3016 0.58
Schistosoma mansoni phd finger protein 0.0201 0.0182 0.0165
Loa Loa (eye worm) hypothetical protein 0.2258 0.5187 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.1901 0.4318 0.7239
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.2575 0.5958 1
Echinococcus granulosus SAM and MBT domain containing protein 0.1901 0.4318 0.7239
Brugia malayi Cation transporter family protein 0.0245 0.0288 0.0523
Brugia malayi jmjC domain containing protein 0.0677 0.1339 0.2556
Echinococcus granulosus histone acetyltransferase MYST2 0.0473 0.0844 0.1392
Echinococcus granulosus chromobox protein 2 0.0973 0.2061 0.3441
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0245 0.0288 0.0271
Plasmodium vivax JmjC domain containing protein 0.0144 0.0042 0.5
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0564 0.1064 0.1762
Schistosoma mansoni jumonji/arid domain-containing protein 0.046 0.0811 0.0795
Brugia malayi mbt repeat family protein 0.2258 0.5187 1
Trypanosoma cruzi squalene synthase, putative 0.0257 0.0317 0.5
Trypanosoma cruzi squalene synthase, putative 0.0257 0.0317 0.5
Echinococcus granulosus endonuclease exonuclease phosphatase 0.2575 0.5958 1
Loa Loa (eye worm) hypothetical protein 0.0473 0.0844 0.16
Echinococcus multilocularis lysine specific demethylase 5A 0.0383 0.0624 0.1022
Schistosoma mansoni chromobox protein 0.0973 0.2061 0.2047
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0245 0.0288 0.0271
Toxoplasma gondii PLU-1 family protein 0.0217 0.0221 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0677 0.1339 0.2556
Schistosoma mansoni hypothetical protein 0.1616 0.3626 0.3615
Schistosoma mansoni jumonji/arid domain-containing protein 0.046 0.0811 0.0795
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.2258 0.5187 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.0288 0.0523
Schistosoma mansoni sex comb on midleg homolog 0.1312 0.2886 0.2874
Loa Loa (eye worm) hypothetical protein 0.0245 0.0288 0.0523
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0473 0.0844 0.1392
Echinococcus granulosus tumor suppressor p53 binding protein 1 0.1616 0.3626 0.6074
Echinococcus multilocularis histone acetyltransferase myst3 0.0201 0.0182 0.0277
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0473 0.0844 0.1392
Leishmania major squalene synthase, putative 0.0257 0.0317 0.5
Echinococcus multilocularis chromobox protein 2 0.0973 0.2061 0.3441
Echinococcus granulosus lysine specific demethylase 5A 0.046 0.0811 0.1336
Echinococcus granulosus histone acetyltransferase myst3 0.0201 0.0182 0.0277
Plasmodium falciparum JmjC domain-containing protein, putative 0.0144 0.0042 0.5
Onchocerca volvulus 0.149 0.3319 0.6187
Echinococcus multilocularis histone acetyltransferase MYST2 0.0473 0.0844 0.1392
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.016 0.0081 0.3694
Loa Loa (eye worm) MBCTL1 0.0473 0.0844 0.16
Brugia malayi mbt repeat family protein 0.1366 0.3016 0.58
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.1901 0.4318 0.4308
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0564 0.1064 0.1762
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0473 0.0844 0.16
Echinococcus multilocularis polycomb protein SCMH1 0.1312 0.2886 0.483
Loa Loa (eye worm) hypothetical protein 0.0198 0.0175 0.0304

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.