Detailed information for compound 1525223

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.686 | Formula: C30H46
  • H donors: 0 H acceptors: 0 LogP: 11.64 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCC(=C)[C@@]12CCC[C@@H]1CC(=C2c1ccccc1)CCCCCC
  • InChi: 1S/C30H46/c1-4-6-8-10-11-13-18-25(3)30-23-17-22-28(30)24-27(21-14-9-7-5-2)29(30)26-19-15-12-16-20-26/h12,15-16,19-20,28H,3-11,13-14,17-18,21-24H2,1-2H3/t28-,30+/m1/s1
  • InChiKey: KDQZNIHOTYIFRU-DGPALRBDSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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) MBOAT family protein 0.036 0.2088 0.2088
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.036 0.2088 0.1711
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.1464 0.8985 1
Echinococcus granulosus membrane bound acyltransferase:hhat 0.036 0.2088 0.1577
Echinococcus granulosus FTZ F1 alpha 0.0489 0.2892 0.2433
Leishmania major hypothetical protein, conserved 0.036 0.2088 1
Leishmania major glycerol uptake protein, putative 0.036 0.2088 1
Entamoeba histolytica hypothetical protein 0.036 0.2088 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.036 0.2088 0.5
Schistosoma mansoni zinc finger protein 0.036 0.2088 0.1711
Entamoeba histolytica vacuolar protein sorting 26 0.036 0.2088 0.5
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.036 0.2088 0.1577
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0 0.5
Trichomonas vaginalis porcupine, putative 0.036 0.2088 0.5
Brugia malayi MBOAT family protein 0.036 0.2088 0.2324
Loa Loa (eye worm) MBOAT family protein 0.036 0.2088 0.2088
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.1464 0.8985 1
Brugia malayi MBOAT family protein 0.036 0.2088 0.2324
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.036 0.2088 0.1711
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.036 0.2088 0.1577
Entamoeba histolytica hypothetical protein, conserved 0.036 0.2088 0.5
Schistosoma mansoni sterol O-acyltransferase 1 0.1627 1 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.036 0.2088 0.5
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.1464 0.8985 0.8919
Treponema pallidum alginate O-acetylation protein (algI) 0.036 0.2088 0.5
Brugia malayi MBOAT family protein 0.036 0.2088 0.2324
Leishmania major glycerol uptake protein, putative 0.036 0.2088 1
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.036 0.2088 0.1577
Trypanosoma cruzi glycerol uptake protein, putative 0.036 0.2088 1
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.036 0.2088 0.1577
Onchocerca volvulus 0.036 0.2088 0.5
Loa Loa (eye worm) hypothetical protein 0.1267 0.775 0.775
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.036 0.2088 0.2088
Schistosoma mansoni hypothetical protein 0.036 0.2088 0.1711
Loa Loa (eye worm) hypothetical protein 0.036 0.2088 0.2088
Loa Loa (eye worm) hypothetical protein 0.0123 0.0606 0.0606
Brugia malayi MBOAT family protein 0.036 0.2088 0.2324
Loa Loa (eye worm) hypothetical protein 0.1104 0.6735 0.6735
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.036 0.2088 0.1711
Brugia malayi Cytochrome P450 family protein 0.0055 0.018 0.0201
Echinococcus granulosus lysophospholipid acyltransferase 7 0.036 0.2088 0.1577
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0123 0.0606 0.0675
Trypanosoma cruzi GUP1, putative 0.036 0.2088 1
Loa Loa (eye worm) hypothetical protein 0.1627 1 1
Trypanosoma cruzi glycerol uptake protein, putative 0.036 0.2088 1
Loa Loa (eye worm) diacylglycerol acyltransferase 0.1464 0.8985 0.8985
Brugia malayi Hhat protein 0.036 0.2088 0.2324
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.018 0.018
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.036 0.2088 0.1711
Loa Loa (eye worm) hypothetical protein 0.036 0.2088 0.2088
Trypanosoma cruzi GUP1, putative 0.036 0.2088 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.036 0.2088 0.5
Trichomonas vaginalis conserved hypothetical protein 0.036 0.2088 0.5
Echinococcus granulosus o acyltransferase membrane bound domain 0.036 0.2088 0.1577
Loa Loa (eye worm) hypothetical protein 0.036 0.2088 0.2088
Plasmodium falciparum diacylglycerol O-acyltransferase 0.1464 0.8985 0.5
Loa Loa (eye worm) hhat protein 0.036 0.2088 0.2088
Trichomonas vaginalis conserved hypothetical protein 0.036 0.2088 0.5
Trypanosoma cruzi glycerol uptake protein, putative 0.036 0.2088 1
Trypanosoma brucei glycerol uptake protein, putative 0.036 0.2088 1
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.036 0.2088 0.1577
Echinococcus granulosus o acyltransferase membrane bound domain 0.036 0.2088 0.1577
Trypanosoma brucei glycerol uptake protein, putative 0.036 0.2088 1
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.036 0.2088 0.1711
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.1464 0.8985 0.8919
Echinococcus multilocularis sterol O acyltransferase 1 0.1627 1 1
Leishmania major glycerol uptake protein, putative 0.036 0.2088 1
Loa Loa (eye worm) MBOAT family protein 0.036 0.2088 0.2088
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.1464 0.8985 0.8936
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.036 0.2088 0.1577
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.036 0.2088 0.1577
Echinococcus granulosus o acyltransferase membrane bound domain 0.036 0.2088 0.1577
Leishmania major glycerol uptake protein, putative 0.036 0.2088 1
Brugia malayi MBOAT family protein 0.036 0.2088 0.2324
Loa Loa (eye worm) hhat protein 0.036 0.2088 0.2088
Brugia malayi diacylglycerol acyltransferase 0.1464 0.8985 1
Trichomonas vaginalis conserved hypothetical protein 0.036 0.2088 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0123 0.0606 0.0675
Trichomonas vaginalis transmembrane protein nessy, putative 0.036 0.2088 0.5
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.036 0.2088 0.1577
Leishmania major glycerol uptake protein, putative 0.036 0.2088 1
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.1464 0.8985 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0123 0.0606 0.016
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.036 0.2088 0.1577

Activities

Activity type Activity value Assay description Source Reference
pEC50 (functional) Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control ChEMBL. 21391689
pEC50 (functional) Agonist activity at human SF-1 assessed as DAX1 1-23 peptide recruitment by TR-FRET assay relative to control ChEMBL. 21391689

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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