Detailed information for compound 1638290

Basic information

Technical information
  • TDR Targets ID: 1638290
  • Name: 83548-91-8
  • MW: 353.198 | Formula: C20H10Cl2O2
  • H donors: 0 H acceptors: 2 LogP: 4.63 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C2=C(C(=O)C(=C1Cl)Cl)C1c3c(C2c2c1cccc2)cccc3
  • InChi: 1S/C20H10Cl2O2/c21-17-18(22)20(24)16-14-10-6-2-1-5-9(10)13(15(16)19(17)23)11-7-3-4-8-12(11)14/h1-8,13-14H
  • InChiKey: BHXOWUDBEKWKER-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • NSC41782
  • NCI60_003946
  • 9,10-o-Benzenoanthracene-1,4-dione, 2,3-dichloro-9,10-dihydro-
  • 9,10[1',2']-Benzenoanthracene-1,4-dione, 2,3-dichloro-9,10-dihydro-

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) RNA recognition domain-containing protein domain-containing protein 0.0071 0.0753 0.0753
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0455 1 1
Mycobacterium ulcerans beta-lactamase 0.004 0 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.026 0.531 0.531
Schistosoma mansoni hypothetical protein 0.0189 0.3611 0.3611
Loa Loa (eye worm) hypothetical protein 0.026 0.531 0.531
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0753 0.0753
Mycobacterium ulcerans lipase LipD 0.004 0 0.5
Onchocerca volvulus 0.0053 0.0324 0.0324
Brugia malayi TAR-binding protein 0.0071 0.0753 0.0753
Toxoplasma gondii ABC1 family protein 0.004 0 0.5
Echinococcus granulosus survival motor neuron protein 1 0.026 0.531 0.531
Loa Loa (eye worm) RNA binding protein 0.0071 0.0753 0.0753
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0253 0.5139 1
Onchocerca volvulus 0.0054 0.0356 0.0356
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0455 1 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0 0.5
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0455 1 1
Mycobacterium leprae Probable lipase LipE 0.004 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0753 0.0753
Mycobacterium ulcerans hypothetical protein 0.004 0 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.004 0 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0 0.5
Echinococcus multilocularis lysosomal protective protein 0.0455 1 1
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0455 1 1
Echinococcus granulosus tar DNA binding protein 0.0071 0.0753 0.0753
Trichomonas vaginalis D-aminoacylase, putative 0.004 0 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0 0.5
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0093 0.1286 0.1286
Echinococcus multilocularis geminin 0.0189 0.3611 0.3611
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0455 1 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0753 0.0753
Mycobacterium ulcerans esterase/lipase LipP 0.004 0 0.5
Onchocerca volvulus 0.0093 0.1286 0.1286
Echinococcus granulosus L aminoadipate semialdehyde 0.0093 0.1286 0.1286
Trichomonas vaginalis D-aminoacylase, putative 0.004 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0753 0.0753
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.0753 0.0753
Echinococcus granulosus geminin 0.0189 0.3611 0.3611
Echinococcus granulosus lysosomal protective protein 0.0455 1 1
Loa Loa (eye worm) TAR-binding protein 0.0071 0.0753 0.0753
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.0455 1 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0753 0.0753
Plasmodium vivax hypothetical protein, conserved 0.004 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0071 0.0753 0.0753
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.041 0.8917 0.8917
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0455 1 1
Schistosoma mansoni survival motor neuron protein 0.0053 0.0324 0.0324
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0093 0.1286 0.1286
Echinococcus granulosus family S10 non peptidase ue S10 family 0.041 0.8917 0.8917
Trichomonas vaginalis esterase, putative 0.004 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0455 1 1
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.0455 1 1
Mycobacterium leprae conserved hypothetical protein 0.004 0 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0455 1 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0093 0.1286 0.1286
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0356 0.0356
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0045 0.0129 0.0129
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0455 1 1
Schistosoma mansoni hypothetical protein 0.0189 0.3611 0.3611
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.0324 0.0324
Echinococcus multilocularis tumor protein p63 0.0372 0.7997 0.7997
Schistosoma mansoni hypothetical protein 0.0053 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0093 0.1286 0.1286
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0455 1 1
Echinococcus granulosus tumor protein p63 0.0372 0.7997 0.7997
Brugia malayi RNA binding protein 0.0071 0.0753 0.0753
Brugia malayi hypothetical protein 0.026 0.531 0.531
Loa Loa (eye worm) hypothetical protein 0.0054 0.0356 0.0356

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.709 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) -4.581 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) -4.505 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) -4.365 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) -4.334 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) -4.322 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 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 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.

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