Detailed information for compound 1606886

Basic information

Technical information
  • TDR Targets ID: 1606886
  • Name: 2-methyl-1-[(4-methylphenyl)methyl]benzo[f]be nzimidazole-4,9-dione
  • MW: 316.353 | Formula: C20H16N2O2
  • H donors: 0 H acceptors: 3 LogP: 3.99 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)Cn1c(C)nc2c1C(=O)c1ccccc1C2=O
  • InChi: 1S/C20H16N2O2/c1-12-7-9-14(10-8-12)11-22-13(2)21-17-18(22)20(24)16-6-4-3-5-15(16)19(17)23/h3-10H,11H2,1-2H3
  • InChiKey: HFYBQAZYXYTMPV-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-methyl-1-(4-methylbenzyl)benzo[f]benzimidazole-4,9-quinone
  • NSC651777
  • NCI60_018114

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 Upstream activation factor subunit UAF30 0.145 1 1
Plasmodium vivax hypothetical protein, conserved 0.145 1 0.5
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0516 0.3074 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0516 0.3074 1
Echinococcus granulosus zinc finger protein Ran binding 0.0516 0.3074 0.2886
Trypanosoma cruzi hypothetical protein, conserved 0.0516 0.3074 1
Echinococcus multilocularis tumor protein p63 0.0333 0.1721 0.1721
Loa Loa (eye worm) hypothetical protein 0.0516 0.3074 0.2681
Schistosoma mansoni hypothetical protein 0.0516 0.3074 0.247
Brugia malayi SWIB/MDM2 domain containing protein 0.145 1 1
Brugia malayi YY1-associated factor 2 0.0516 0.3074 0.2267
Schistosoma mansoni brg-1 associated factor 0.145 1 1
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0242 0.1045 0.0263
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0516 0.3074 1
Loa Loa (eye worm) hypothetical protein 0.0209 0.08 0.0277
Trypanosoma brucei hypothetical protein, conserved 0.0516 0.3074 1
Schistosoma mansoni hypothetical protein 0.145 1 1
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0314 0.158 0.0845
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0242 0.1045 0.1045
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0516 0.3074 0.2267
Leishmania major hypothetical protein, conserved 0.0516 0.3074 0.5
Schistosoma mansoni fusion 0.0516 0.3074 0.247
Echinococcus granulosus Zinc finger RanBP2 type 0.0516 0.3074 0.2886
Loa Loa (eye worm) hypothetical protein 0.0242 0.1045 0.0536
Loa Loa (eye worm) hypothetical protein 0.0516 0.3074 0.2681
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0314 0.158 0.158
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0516 0.3074 0.3074
Trypanosoma cruzi hypothetical protein, conserved 0.0516 0.3074 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0516 0.3074 0.2267
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0516 0.3074 1
Schistosoma mansoni hypothetical protein 0.145 1 1
Leishmania major hypothetical protein, conserved 0.0516 0.3074 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0516 0.3074 1
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0516 0.3074 0.1729
Echinococcus granulosus poly ADP ribose polymerase 1 0.0314 0.158 0.1351
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.145 1 1
Loa Loa (eye worm) hypothetical protein 0.0516 0.3074 0.2681
Leishmania major hypothetical protein, conserved 0.0516 0.3074 0.5
Echinococcus granulosus SWI:SNF matrix associated 0.145 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.145 1 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0516 0.3074 1
Echinococcus multilocularis SWI:SNF matrix associated 0.145 1 1
Echinococcus granulosus poly adp ribose polymerase 2 0.0242 0.1045 0.0801
Trichomonas vaginalis conserved hypothetical protein 0.145 1 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0516 0.3074 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.145 1 1
Brugia malayi WGR domain containing protein 0.0314 0.158 0.0597
Leishmania major hypothetical protein, conserved 0.0516 0.3074 0.5
Schistosoma mansoni zinc finger protein 0.0516 0.3074 0.247
Chlamydia trachomatis SWIB complex protein 0.145 1 0.5
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0314 0.158 0.5
Leishmania major hypothetical protein, conserved 0.0516 0.3074 0.5
Loa Loa (eye worm) brahma associated protein 0.145 1 1
Schistosoma mansoni hypothetical protein 0.145 1 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.145 1 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0516 0.3074 1
Schistosoma mansoni TRABID protein (C64 family) 0.0516 0.3074 0.247
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.145 1 1
Onchocerca volvulus 0.145 1 1
Schistosoma mansoni RNA binding protein 0.0516 0.3074 0.247
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0516 0.3074 0.3074
Echinococcus multilocularis SWI:SNF matrix associated 0.145 1 1
Echinococcus granulosus tumor protein p63 0.0333 0.1721 0.1495
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0516 0.3074 0.2267
Echinococcus multilocularis zinc finger protein Ran binding 0.0516 0.3074 0.3074
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0516 0.3074 1
Toxoplasma gondii ran binding protein 0.0516 0.3074 0.1729
Echinococcus multilocularis SWI:SNF matrix associated 0.145 1 1
Brugia malayi brahma associated protein 60 kDa 0.145 1 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.145 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0516 0.3074 0.2681
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0516 0.3074 0.2886
Trypanosoma cruzi WLM domain containing protein, putative 0.0516 0.3074 1
Chlamydia trachomatis DNA topoisomerase I 0.145 1 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0516 0.3074 0.2267
Trypanosoma cruzi hypothetical protein, conserved 0.0516 0.3074 1
Echinococcus granulosus ring and YY1 binding protein 0.0516 0.3074 0.2886
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.145 1 1
Echinococcus multilocularis ring and YY1 binding protein 0.0516 0.3074 0.3074
Loa Loa (eye worm) hypothetical protein 0.0516 0.3074 0.2681

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.879 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) -5.718 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) -5.345 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
GI50 (functional) -5.283 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) -5.209 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) -5.206 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) -5.199 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) -4.963 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M 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.

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