Detailed information for compound 999296

Basic information

Technical information
  • TDR Targets ID: 999296
  • Name: 3,8-dimethyl-5-propan-2-ylnaphthalene-1,2-dio ne
  • MW: 228.286 | Formula: C15H16O2
  • H donors: 0 H acceptors: 2 LogP: 3.35 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1=Cc2c(ccc(c2C(=O)C1=O)C)C(C)C
  • InChi: 1S/C15H16O2/c1-8(2)11-6-5-9(3)13-12(11)7-10(4)14(16)15(13)17/h5-8H,1-4H3
  • InChiKey: GREWJSSEUGRGIT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-isopropyl-3,8-dimethyl-naphthalene-1,2-dione
  • 5-isopropyl-3,8-dimethylnaphthalene-1,2-dione
  • 5-isopropyl-3,8-dimethyl-1,2-naphthoquinone
  • 3,8-dimethyl-5-propan-2-yl-naphthalene-1,2-dione
  • 5574-34-5
  • 1,2-Naphthalenedione, 3,8-dimethyl-5-(1-methylethyl)-
  • 3,8-DIMETHYL-5-ISOPROPYL-1,2-NAPHTHOQUINONE
  • AIDS-228093
  • 1,2-Naphthoquinone, 5-isopropyl-3,8-dimethyl-
  • C10371
  • Mansonone C
  • AIDS228093

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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1726 0.6878
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0436 0.5844
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0745 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0 0.5
Brugia malayi hypothetical protein 0.0035 0.1292 0.1292
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1726 0.6878
Schistosoma mansoni tar DNA-binding protein 0.0062 0.251 1
Entamoeba histolytica hypothetical protein 0.0035 0.1292 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.251 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1726 0.6878
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.1292 0.5146
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0745 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1726 0.6878
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0745 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0745 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0745 0.0745
Loa Loa (eye worm) TAR-binding protein 0.0062 0.251 0.251
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0007 0 0.5
Brugia malayi RNA binding protein 0.0062 0.251 0.251
Loa Loa (eye worm) hypothetical protein 0.0017 0.0479 0.0479
Loa Loa (eye worm) RNA binding protein 0.0062 0.251 0.251
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1726 0.1726
Echinococcus multilocularis tar DNA binding protein 0.0062 0.251 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0745 0.0745
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1726 0.6878
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.251 0.251
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.251 0.251
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0479 0.0479
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0479 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0745 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0479 0.0479
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0479 0.6421
Onchocerca volvulus 0.0023 0.0745 1
Entamoeba histolytica hypothetical protein 0.0035 0.1292 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.1292 1
Mycobacterium ulcerans hypothetical protein 0.0023 0.0745 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0745 0.0745
Echinococcus granulosus tar DNA binding protein 0.0062 0.251 1
Brugia malayi TAR-binding protein 0.0062 0.251 0.251
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1726 0.6878
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0745 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0745 0.5772
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.1292 0.5146
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0479 0.0479
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0 0.5
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0479 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0745 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0745 0.0745
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.1292 0.5146
Schistosoma mansoni tar DNA-binding protein 0.0062 0.251 1
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0007 0 0.5
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0479 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0436 0.5844
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0436 0.5844
Entamoeba histolytica hypothetical protein 0.0035 0.1292 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0745 0.0745
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0745 0.5772
Loa Loa (eye worm) hypothetical protein 0.0017 0.0479 0.0479
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0479 0.6421
Toxoplasma gondii propionate-CoA ligase 0.0007 0 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0745 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0745 0.5772
Schistosoma mansoni tar DNA-binding protein 0.0062 0.251 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.251 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0745 1
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0007 0 0.5
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0745 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0745 0.0745
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0745 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0745 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0745 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1726 0.6878
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0228 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1726 0.1726
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0007 0 0.5
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0745 1
Schistosoma mansoni hypothetical protein 0.0035 0.1292 0.5146
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0436 0.5844

Activities

No activities found for this compound.

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.