Detailed information for compound 212735

Basic information

Technical information
  • TDR Targets ID: 212735
  • Name: 6-(3-chloropropyl)-8,9-dimethoxyindeno[1,2-c] isoquinoline-5,11-dione
  • MW: 383.825 | Formula: C21H18ClNO4
  • H donors: 0 H acceptors: 2 LogP: 3.27 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCCCn1c2c3cc(OC)c(cc3C(=O)c2c2c(c1=O)cccc2)OC
  • InChi: 1S/C21H18ClNO4/c1-26-16-10-14-15(11-17(16)27-2)20(24)18-12-6-3-4-7-13(12)21(25)23(19(14)18)9-5-8-22/h3-4,6-7,10-11H,5,8-9H2,1-2H3
  • InChiKey: XVSDEAKXHPRGRQ-UHFFFAOYSA-N  

Network

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Synonyms

  • 6-(3-chloropropyl)-8,9-dimethoxy-indeno[1,2-c]isoquinoline-5,11-dione
  • 6-(3-chloropropyl)-8,9-dimethoxy-indeno[1,2-c]isoquinoline-5,11-quinone
  • 6-(3-chloropropyl)-8,9-dimethoxyindeno[3,2-c]isoquinoline-5,11-dione
  • 6-(3-chloropropyl)-8,9-dimethoxy-indeno[3,2-c]isoquinoline-5,11-dione
  • 6-(3-chloropropyl)-8,9-dimethoxy-indeno[3,2-c]isoquinoline-5,11-quinone

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
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0817 0.3256 0.5918
Leishmania major hypothetical protein, conserved 0.0666 0.2373 1
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.0666 0.2373 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0464 0.1193 0.1774
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0498 0.1393 0.2177
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0498 0.1393 0.2177
Toxoplasma gondii hypothetical protein 0.0313 0.0309 0.6065
Trypanosoma brucei GAF domain/TIP41-like family, putative 0.0666 0.2373 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1164 0.5289 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1164 0.5289 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.1969 1 1
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0979 0.4205 1
Mycobacterium leprae conserved hypothetical protein 0.0313 0.0309 0.5
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0498 0.1393 0.5704
Loa Loa (eye worm) hypothetical protein 0.1969 1 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0498 0.1393 0.2177
Toxoplasma gondii hypothetical protein 0.0313 0.0309 0.6065
Plasmodium vivax hypothetical protein, conserved 0.0313 0.0309 0.5
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0498 0.1393 0.2177
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0498 0.1393 0.2177
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0498 0.1393 0.2177
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0498 0.1393 0.2177
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0498 0.1393 0.2177
Trichomonas vaginalis conserved hypothetical protein 0.0347 0.051 0.0403
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0498 0.1393 0.2177
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0498 0.1393 0.2177
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1164 0.5289 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0498 0.1393 0.2177
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0498 0.1393 0.2177
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0498 0.1393 0.5704
Trichomonas vaginalis conserved hypothetical protein 0.1164 0.5289 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0498 0.1393 0.1393
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.053 0.1577 0.6455
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0498 0.1393 0.2177
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0498 0.1393 0.2177
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0498 0.1393 0.2177
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0678 0.2443 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0498 0.1393 0.2177
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0817 0.3256 0.5918
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0498 0.1393 0.2177
Plasmodium falciparum GAF domain-related protein, putative 0.0313 0.0309 1
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.053 0.1577 0.6455
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0498 0.1393 0.2177
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0498 0.1393 0.2177
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0464 0.1193 0.1774
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0498 0.1393 0.2177
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0678 0.2443 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0498 0.1393 0.2177
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0464 0.1193 0.1774
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0498 0.1393 0.2177
Toxoplasma gondii GAF domain-containing protein 0.0313 0.0309 0.6065
Toxoplasma gondii hypothetical protein 0.0347 0.051 1
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0979 0.4205 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0498 0.1393 0.2177
Trichomonas vaginalis conserved hypothetical protein 0.0347 0.051 0.0403
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0498 0.1393 0.2177
Mycobacterium tuberculosis Conserved hypothetical protein 0.0666 0.2373 0.5297
Trichomonas vaginalis conserved hypothetical protein 0.0347 0.051 0.0403
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0498 0.1393 0.2177
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.0666 0.2373 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibitory activity of compound against human recombinant DNA topoisomerase I mediated DNA cleavage; No data ChEMBL. 11020283
GI50 (functional) > 100 uM Antiproliferative activity was determined for 50% growth inhibition against human lung HOP-62 cell line ChEMBL. 11020283
GI50 (functional) > 100 uM Antiproliferative activity was determined for 50% growth inhibition against human colon HCT-116 cell line ChEMBL. 11020283
GI50 (functional) > 100 uM Antiproliferative activity was determined for 50% growth inhibition against human CNS SF-539 cell line ChEMBL. 11020283
GI50 (functional) > 100 uM Antiproliferative activity was determined for 50% growth inhibition against human melanoma UACC-62 cell line ChEMBL. 11020283
GI50 (functional) > 100 uM Antiproliferative activity was determined for 50% growth inhibition against human ovarian OVCAR-3 cell line ChEMBL. 11020283
GI50 (functional) > 100 uM Antiproliferative activity was determined for 50% growth inhibition against human renal SN12C cell line ChEMBL. 11020283
GI50 (functional) > 100 uM Antiproliferative activity was determined for 50% growth inhibition against human Prostate DU-145 cell line ChEMBL. 11020283
GI50 (functional) > 100 uM Antiproliferative activity was determined for 50% growth inhibition against human breast MDA-MB-435 cell line ChEMBL. 11020283
GI50 (functional) > 100 uM Antiproliferative activity was determined for 50% growth inhibition against human lung HOP-62 cell line ChEMBL. 11020283
GI50 (functional) > 100 uM Antiproliferative activity was determined for 50% growth inhibition against human colon HCT-116 cell line ChEMBL. 11020283
GI50 (functional) > 100 uM Antiproliferative activity was determined for 50% growth inhibition against human CNS SF-539 cell line ChEMBL. 11020283
GI50 (functional) > 100 uM Antiproliferative activity was determined for 50% growth inhibition against human melanoma UACC-62 cell line ChEMBL. 11020283
GI50 (functional) > 100 uM Antiproliferative activity was determined for 50% growth inhibition against human ovarian OVCAR-3 cell line ChEMBL. 11020283
GI50 (functional) > 100 uM Antiproliferative activity was determined for 50% growth inhibition against human renal SN12C cell line ChEMBL. 11020283
GI50 (functional) > 100 uM Antiproliferative activity was determined for 50% growth inhibition against human Prostate DU-145 cell line ChEMBL. 11020283
GI50 (functional) > 100 uM Antiproliferative activity was determined for 50% growth inhibition against human breast MDA-MB-435 cell line ChEMBL. 11020283
MGM (functional) = 76.1 Mean graph midpoint for growth inhibition of all human cancer cell lines ChEMBL. 11020283
ND (binding) 0 Inhibitory activity of compound against human recombinant DNA topoisomerase I mediated DNA cleavage; No data ChEMBL. 11020283

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

1 literature reference was collected for this gene.

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