Detailed information for compound 1755866

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 465.586 | Formula: C30H31N3O2
  • H donors: 2 H acceptors: 1 LogP: 6.37 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(c(c1)CN=C(N)N)c1ccc2c(c1)cccc2c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C30H31N3O2/c1-30(2,3)24-12-8-19(9-13-24)26-7-5-6-20-16-21(10-15-27(20)26)25-14-11-22(28(34)35-4)17-23(25)18-33-29(31)32/h5-17H,18H2,1-4H3,(H4,31,32,33)
  • InChiKey: CUDIYXCEYVGTCI-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 multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0064 0.0147
Schistosoma mansoni P2X receptor subunit 0.1104 0.1775 0.1775
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1103 0.1774 0.4103
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0064 0.0064
Brugia malayi Putative carbonic anhydrase 5 precursor 0.2674 0.4324 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1103 0.1774 0.4103
Echinococcus multilocularis p2X purinoceptor 4 0.1104 0.1775 0.4105
Echinococcus multilocularis carbonic anhydrase 0.1103 0.1774 0.4103
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.617 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0162 0.0246 0.0569
Echinococcus multilocularis p2X purinoceptor 4 0.1104 0.1775 0.4105
Echinococcus granulosus twitchin 0.0013 0.0004 0.001
Toxoplasma gondii hypothetical protein 0.1103 0.1774 0.5
Schistosoma mansoni P2X receptor subunit 0.1104 0.1775 0.1775
Echinococcus granulosus p2X purinoceptor 4 0.1104 0.1775 0.4105
Echinococcus granulosus muscleblind protein 0.0162 0.0246 0.0569
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0064 0.0064
Schistosoma mansoni hypothetical protein 0.1103 0.1774 0.1774
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.2674 0.4324 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2674 0.4324 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0064 0.0147
Schistosoma mansoni carbonic anhydrase-related 0.1103 0.1774 0.1774
Brugia malayi Muscleblind-like protein 0.0162 0.0246 0.0569
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0064 0.0064
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0064 0.0147
Echinococcus granulosus neuroglian 0.0013 0.0004 0.001
Loa Loa (eye worm) hypothetical protein 0.0016 0.001 0.0022
Loa Loa (eye worm) hypothetical protein 0.1103 0.1774 0.4103
Echinococcus granulosus p2X purinoceptor 4 0.1104 0.1775 0.4105
Echinococcus multilocularis carbonic anhydrase II 0.2674 0.4324 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.2674 0.4324 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1103 0.1774 0.4103
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0064 0.0147
Schistosoma mansoni carbonic anhydrase-related 0.1103 0.1774 0.1774
Schistosoma mansoni carbonic anhydrase 0.1103 0.1774 0.1774
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0014 0.0005 0.0013
Loa Loa (eye worm) hypothetical protein 0.0014 0.0005 0.0013
Echinococcus multilocularis muscleblind protein 1 0.0162 0.0246 0.0569
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.3502 0.5668 1
Echinococcus multilocularis carbonic anhydrase 0.1103 0.1774 0.4103
Echinococcus granulosus carbonic anhydrase 0.1103 0.1774 0.4103
Loa Loa (eye worm) hypothetical protein 0.1103 0.1774 0.4103
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0064 0.0147
Echinococcus granulosus carbonic anhydrase 0.1103 0.1774 0.4103
Onchocerca volvulus Tyrosine kinase homolog 0.0155 0.0236 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.001 0.0022
Schistosoma mansoni nephrin 0.0013 0.0004 0.0004
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1103 0.1774 0.4103
Echinococcus granulosus p2X purinoceptor 4 0.1104 0.1775 0.4105
Loa Loa (eye worm) hypothetical protein 0.1103 0.1774 0.4103
Mycobacterium ulcerans carbonic anhydrase 0.617 1 1
Schistosoma mansoni carbonic anhydrase 0.617 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0064 0.0147
Leishmania major carbonic anhydrase family protein, putative 0.617 1 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.0246 0.0569
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2674 0.4324 0.4324
Echinococcus granulosus roundabout 2 0.0016 0.001 0.0022
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2674 0.4324 0.4324
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2674 0.4324 0.5
Plasmodium falciparum carbonic anhydrase 0.1103 0.1774 0.5
Echinococcus granulosus carbonic anhydrase 0.1103 0.1774 0.4103
Trypanosoma brucei carbonic anhydrase-like protein 0.2674 0.4324 0.5
Loa Loa (eye worm) carbonic anhydrase 3 0.2674 0.4324 1
Echinococcus multilocularis p2X purinoceptor 4 0.1104 0.1775 0.4105
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0166 0.0254 0.0586
Trichomonas vaginalis conserved hypothetical protein 0.2668 0.4315 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0166 0.0254 0.0586
Echinococcus multilocularis carbonic anhydrase 0.1103 0.1774 0.4103
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.1103 0.1774 0.4103
Echinococcus multilocularis muscleblind protein 0.0162 0.0246 0.0569
Echinococcus multilocularis roundabout 2 0.0016 0.001 0.0022
Schistosoma mansoni carbonic anhydrase-related 0.1103 0.1774 0.1774
Schistosoma mansoni P2X receptor subunit 0.1104 0.1775 0.1775
Schistosoma mansoni cell adhesion molecule 0.0014 0.0005 0.0005
Echinococcus multilocularis neuroglian 0.0013 0.0004 0.001
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.1103 0.1774 0.4103
Schistosoma mansoni P2X receptor subunit 0.1104 0.1775 0.1775
Echinococcus granulosus carbonic anhydrase II 0.2674 0.4324 1
Trichomonas vaginalis conserved hypothetical protein 0.2668 0.4315 0.5

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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