Detailed information for compound 558144

Basic information

Technical information
  • TDR Targets ID: 558144
  • Name: 3067-12-7
  • MW: 282.292 | Formula: C20H10O2
  • H donors: 0 H acceptors: 2 LogP: 3.87 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1c2ccc3c4c2c(c2c1cccc2)cc(=O)c4ccc3
  • InChi: 1S/C20H10O2/c21-17-10-16-12-5-1-2-6-13(12)20(22)15-9-8-11-4-3-7-14(17)18(11)19(15)16/h1-10H
  • InChiKey: HSJQJGAVYCLWJA-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 4-07-00-02682 (Beilstein Handbook Reference)
  • 6,12-Benzo(a)pyrenedione
  • 6,12-Benzopyrene quinone
  • 64133-80-8
  • AIDS-132177
  • AIDS132177
  • benzo(a)pyrene-6,12-quinone
  • BENZO(A)PYRENE-6,12-DIONE
  • Benzo(a)pyrene 6,12-dione
  • Benzo(a)pyrene 6,12-quinone
  • Benzo(a)pyrene-6,12-dione, radical ion(1-)
  • benzo[b]pyrene-6,12-dione
  • benzo[b]pyrene-6,12-quinone
  • Benzo[def]chrysene-6,12-dione
  • BP-6,12-Quinone
  • BRN 1883987
  • deoxycytidine thiotriphosphate
  • NCI60_007965
  • NSC625589

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
Loa Loa (eye worm) hypothetical protein 0.0062 0.1015 0.2372
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0115 0.3079 1
Onchocerca volvulus 0.0115 0.3079 1
Schistosoma mansoni hypothetical protein 0.0115 0.3079 1
Plasmodium falciparum conserved protein, unknown function 0.0115 0.3079 0.5
Brugia malayi endochitinase 0.0081 0.1768 0.5741
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0115 0.3079 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0532 0.0582
Brugia malayi endochitinase 0.0073 0.1429 0.4642
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0115 0.3079 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.4007 0.3007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0374 0.1215
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0374 0.1215
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0374 0.1215
Brugia malayi Endochitinase 0.0081 0.1768 0.5741
Loa Loa (eye worm) cuticular endochitinase 0.0073 0.1429 0.39
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0374 0.1215
Loa Loa (eye worm) microfilarial chitinase 0.0071 0.1354 0.3623
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0295 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0571 0.0358
Loa Loa (eye worm) hypothetical protein 0.0115 0.3079 1
Plasmodium vivax hypothetical protein, conserved 0.0115 0.3079 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0532 0.1727
Onchocerca volvulus Putative endochitinase 0.0081 0.1768 0.2052
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.4007 0.3871
Mycobacterium ulcerans hypothetical protein 0.0155 0.4615 1
Toxoplasma gondii hypothetical protein 0.0115 0.3079 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0374 0.1215
Mycobacterium tuberculosis Conserved hypothetical protein 0.0155 0.4615 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0374 0.1215
Loa Loa (eye worm) chitinase I 0.0073 0.1429 0.39
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0532 0.1727
Onchocerca volvulus Putative endochitinase 0.0081 0.1768 0.2052
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0374 0.1215
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0374 0.1215
Entamoeba histolytica chitinase, putative 0.0073 0.1429 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.4007 0.3871
Loa Loa (eye worm) hypothetical protein 0.0115 0.3079 1
Onchocerca volvulus 0.0115 0.3079 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0532 0.0582
Onchocerca volvulus Putative endochitinase 0.0081 0.1768 0.2052

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.515 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
GI50 (functional) -4.499 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) -4.358 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) -4.241 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) -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 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 UO-31 Renal 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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