Detailed information for compound 1752789

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 421.535 | Formula: C24H31N5O2
  • H donors: 2 H acceptors: 3 LogP: 3.96 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nc2n(c1N(CCCc1ccccc1)C)cc(cc2)C(=O)NCCNC(=O)C
  • InChi: 1S/C24H31N5O2/c1-4-21-24(28(3)16-8-11-19-9-6-5-7-10-19)29-17-20(12-13-22(29)27-21)23(31)26-15-14-25-18(2)30/h5-7,9-10,12-13,17H,4,8,11,14-16H2,1-3H3,(H,25,30)(H,26,31)
  • InChiKey: NSAFGJFZUVRXKO-UHFFFAOYSA-N  

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
Toxoplasma gondii hypothetical protein 0.0631 0.1655 0.1655
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0631 0.1655 0.1655
Plasmodium falciparum diacylglycerol O-acyltransferase 0.3754 1 1
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0631 0.1655 0.1655
Brugia malayi MBOAT family protein 0.0631 0.1655 0.1655
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0354 0.0354
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.3754 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0631 0.1655 0.5
Brugia malayi MBOAT family protein 0.0631 0.1655 0.1655
Trypanosoma cruzi GUP1, putative 0.0631 0.1655 0.5
Loa Loa (eye worm) MBOAT family protein 0.0631 0.1655 0.1655
Leishmania major glycerol uptake protein, putative 0.0631 0.1655 0.5
Trypanosoma cruzi glycerol uptake protein, putative 0.0631 0.1655 0.5
Trichomonas vaginalis porcupine, putative 0.0631 0.1655 0.5
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0631 0.1655 0.1655
Echinococcus granulosus serotonin transporter 0.0069 0.0153 0.0153
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0631 0.1655 0.1655
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.3754 1 1
Brugia malayi MH2 domain containing protein 0.0144 0.0354 0.0354
Entamoeba histolytica hypothetical protein, conserved 0.0631 0.1655 0.5
Brugia malayi MBOAT family protein 0.0631 0.1655 0.1655
Trypanosoma cruzi glycerol uptake protein, putative 0.0631 0.1655 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0069 0.0153 0.0153
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0631 0.1655 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.0069 0.0153 0.0153
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0354 0.0354
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0631 0.1655 0.1655
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0631 0.1655 0.1655
Loa Loa (eye worm) hypothetical protein 0.0069 0.0153 0.0153
Echinococcus multilocularis serotonin transporter 0.0069 0.0153 0.0153
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0631 0.1655 0.1655
Loa Loa (eye worm) MBOAT family protein 0.0631 0.1655 0.1655
Loa Loa (eye worm) hypothetical protein 0.0069 0.0153 0.0153
Trypanosoma cruzi glycerol uptake protein, putative 0.0631 0.1655 0.5
Leishmania major glycerol uptake protein, putative 0.0631 0.1655 0.5
Loa Loa (eye worm) norepinephrine transporter 0.0069 0.0153 0.0153
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0631 0.1655 0.1655
Loa Loa (eye worm) hypothetical protein 0.0631 0.1655 0.1655
Treponema pallidum alginate O-acetylation protein (algI) 0.0631 0.1655 1
Entamoeba histolytica vacuolar protein sorting 26 0.0631 0.1655 0.5
Onchocerca volvulus 0.0631 0.1655 1
Loa Loa (eye worm) MBOAT family protein 0.0631 0.1655 0.1655
Leishmania major hypothetical protein, conserved 0.0631 0.1655 0.5
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.3754 1 1
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0631 0.1655 0.1655
Echinococcus granulosus o acyltransferase membrane bound domain 0.0631 0.1655 0.1655
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.3754 1 1
Loa Loa (eye worm) hypothetical protein 0.3123 0.8314 0.8314
Echinococcus granulosus o acyltransferase membrane bound domain 0.0631 0.1655 0.1655
Onchocerca volvulus 0.0069 0.0153 0.0924
Leishmania major glycerol uptake protein, putative 0.0631 0.1655 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0631 0.1655 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0631 0.1655 0.5
Brugia malayi Hhat protein 0.0631 0.1655 0.1655
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0631 0.1655 0.5
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0631 0.1655 0.1655
Loa Loa (eye worm) hhat protein 0.0631 0.1655 0.1655
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.3754 1 1
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0631 0.1655 0.1655
Echinococcus multilocularis sterol O acyltransferase 1 0.0631 0.1655 0.1655
Echinococcus granulosus sterol O acyltransferase 1 0.0631 0.1655 0.1655
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0631 0.1655 0.1655
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0631 0.1655 0.1655
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0069 0.0153 0.0153
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0069 0.0153 0.0153
Entamoeba histolytica hypothetical protein 0.0631 0.1655 0.5
Trypanosoma brucei glycerol uptake protein, putative 0.0631 0.1655 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0631 0.1655 0.5
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0012 0 0.5
Leishmania major glycerol uptake protein, putative 0.0631 0.1655 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.0153 0.0153
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0631 0.1655 0.1655
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0631 0.1655 0.1655
Loa Loa (eye worm) hypothetical protein 0.0631 0.1655 0.1655
Schistosoma mansoni hypothetical protein 0.0631 0.1655 0.1655
Loa Loa (eye worm) hypothetical protein 0.0631 0.1655 0.1655
Brugia malayi MBOAT family protein 0.0631 0.1655 0.1655
Leishmania major glycerol uptake protein, putative 0.0631 0.1655 0.5
Trypanosoma brucei glycerol uptake protein, putative 0.0631 0.1655 0.5
Brugia malayi MBOAT family protein 0.0631 0.1655 0.1655
Loa Loa (eye worm) serotonin transporter b 0.0069 0.0153 0.0153
Loa Loa (eye worm) hhat protein 0.0631 0.1655 0.1655
Loa Loa (eye worm) hypothetical protein 0.0631 0.1655 0.1655
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0631 0.1655 0.1655
Schistosoma mansoni sterol O-acyltransferase 1 0.0631 0.1655 0.1655
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.3754 1 1
Schistosoma mansoni zinc finger protein 0.0631 0.1655 0.1655
Trypanosoma cruzi GUP1, putative 0.0631 0.1655 0.5
Echinococcus granulosus o acyltransferase membrane bound domain 0.0631 0.1655 0.1655
Trichomonas vaginalis transmembrane protein nessy, putative 0.0631 0.1655 0.5
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0631 0.1655 0.1655
Loa Loa (eye worm) diacylglycerol acyltransferase 0.3754 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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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