Detailed information for compound 733044

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 362.463 | Formula: C20H30N2O4
  • H donors: 2 H acceptors: 3 LogP: 1.49 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC(CN1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCCCC1)O
  • InChi: 1S/C20H30N2O4/c23-15-17(24)14-21-12-8-19(9-13-21)26-18-6-4-16(5-7-18)20(25)22-10-2-1-3-11-22/h4-7,17,19,23-24H,1-3,8-15H2
  • InChiKey: AZRUNIOQECIGGO-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
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.141 0.6652
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.141 1
Trypanosoma brucei protein kinase, putative 0.0051 0.141 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0693 0.3269
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0864 0.4076
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.07 0.0093
Mycobacterium tuberculosis Conserved protein 0.0036 0.0693 0.0185
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0693 0.0185
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.141 1
Schistosoma mansoni bromodomain containing protein 0.0069 0.2309 1
Brugia malayi Bromodomain containing protein 0.0042 0.0989 0.2673
Loa Loa (eye worm) hypothetical protein 0.0036 0.0693 0.2407
Schistosoma mansoni hypothetical protein 0.0023 0.0056 0.0242
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.07 0.0093
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0693 0.3269
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.141 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.07 0.0093
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.141 0.6652
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1113 0.525
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.141 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.212 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1113 0.482
Mycobacterium tuberculosis Conserved protein 0.0036 0.0693 0.0185
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.141 0.5118
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1113 0.482
Onchocerca volvulus 0.0036 0.0693 0.5
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.07 1
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0693 0.0185
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.07 0.0093
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.07 0.5
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.07 0.33
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.141 0.5
Onchocerca volvulus 0.0036 0.0693 0.5
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.07 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0157 0.0739
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0157 0.0679
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0693 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1113 0.482
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.141 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.141 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.141 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0693 0.0185
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1113 0.525
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.141 0.6652
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.141 1
Loa Loa (eye worm) inositol-1 0.0036 0.07 0.2432
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.141 1
Brugia malayi MAP kinase sur-1 0.0051 0.141 0.4264
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0693 0.3001
Mycobacterium leprae Probable lipase LipE 0.0036 0.0693 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0693 0.0185
Loa Loa (eye worm) hypothetical protein 0.0036 0.0693 0.2407
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0693 0.2407
Loa Loa (eye worm) hypothetical protein 0.0036 0.0693 0.2407
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.141 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.2702 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0693 0.2407
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1113 0.525
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0864 0.4076
Loa Loa (eye worm) beta-lactamase 0.0036 0.0693 0.2407
Brugia malayi beta-lactamase family protein 0.0036 0.0693 0.1553
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.07 0.33
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.141 0.6652
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1113 0.3995
Loa Loa (eye worm) hypothetical protein 0.0036 0.0693 0.2407
Brugia malayi Bromodomain containing protein 0.0082 0.2928 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.07 0.303
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0693 0.1553
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.141 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1113 0.525
Loa Loa (eye worm) hypothetical protein 0.0042 0.0993 0.3541
Brugia malayi Inositol-1 0.0036 0.07 0.1578
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0693 0.3001
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0693 0.0185
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0157 0.0739
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.141 0.6107
Loa Loa (eye worm) hypothetical protein 0.0044 0.1118 0.4014
Brugia malayi beta-lactamase family protein 0.0036 0.0693 0.1553
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.07 0.0093
Mycobacterium tuberculosis Conserved protein 0.0036 0.0693 0.0185
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0693 0.0185
Brugia malayi beta-lactamase 0.0036 0.0693 0.1553
Loa Loa (eye worm) hypothetical protein 0.0047 0.1219 0.4395
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0693 0.0185
Schistosoma mansoni inositol monophosphatase 0.0036 0.07 0.303
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.07 0.0093
Loa Loa (eye worm) hypothetical protein 0.0036 0.0693 0.2407
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.07 0.0093
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0693 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.141 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.212 1
Onchocerca volvulus 0.0036 0.0693 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1113 0.3141
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.07 0.0093

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.

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