Detailed information for compound 1749814

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 409.521 | Formula: C24H31N3O3
  • H donors: 1 H acceptors: 3 LogP: 4.49 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1(C)CCN1C(=O)C1(CCCC1)c1ccccc1)Nc1noc(c1)C(C)(C)C
  • InChi: 1S/C24H31N3O3/c1-22(2,3)18-16-19(26-30-18)25-20(28)23(4)14-15-27(23)21(29)24(12-8-9-13-24)17-10-6-5-7-11-17/h5-7,10-11,16H,8-9,12-15H2,1-4H3,(H,25,26,28)
  • InChiKey: VJRSXABXJWOBKA-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
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0013
Toxoplasma gondii hypothetical protein 0.1043 0.1811 0.5
Echinococcus granulosus muscleblind protein 0.0159 0.0262 0.0596
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.1043 0.1811 0.4122
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.3241 0.5668 1
Echinococcus multilocularis muscleblind protein 1 0.0159 0.0262 0.0596
Loa Loa (eye worm) hypothetical protein 0.1043 0.1811 0.4122
Schistosoma mansoni carbonic anhydrase-related 0.1043 0.1811 0.1811
Leishmania major carbonic anhydrase family protein, putative 0.5711 1 1
Schistosoma mansoni hypothetical protein 0.1043 0.1811 0.1811
Loa Loa (eye worm) hypothetical protein 0.0016 0.001 0.0023
Schistosoma mansoni carbonic anhydrase 0.5711 1 1
Echinococcus granulosus roundabout 2 0.0016 0.001 0.0023
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.5711 1 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0068 0.0154
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2514 0.4393 0.4393
Echinococcus granulosus carbonic anhydrase 0.1043 0.1811 0.4122
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2514 0.4393 0.5
Echinococcus multilocularis carbonic anhydrase II 0.2514 0.4393 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.2514 0.4393 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0068 0.0154
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0068 0.0154
Loa Loa (eye worm) carbonic anhydrase 3 0.2514 0.4393 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1043 0.1811 0.4122
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0068 0.0154
Trichomonas vaginalis conserved hypothetical protein 0.247 0.4314 0.5
Loa Loa (eye worm) hypothetical protein 0.0159 0.0262 0.0596
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0068 0.0154
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1043 0.1811 0.4122
Onchocerca volvulus Tyrosine kinase homolog 0.0153 0.0251 1
Schistosoma mansoni carbonic anhydrase-related 0.1043 0.1811 0.1811
Echinococcus granulosus carbonic anhydrase 0.1043 0.1811 0.4122
Trichomonas vaginalis conserved hypothetical protein 0.247 0.4314 0.5
Loa Loa (eye worm) hypothetical protein 0.1043 0.1811 0.4122
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.2514 0.4393 1
Echinococcus granulosus carbonic anhydrase 0.1043 0.1811 0.4122
Brugia malayi Muscleblind-like protein 0.0159 0.0262 0.0596
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2514 0.4393 0.4393
Echinococcus multilocularis carbonic anhydrase 0.1043 0.1811 0.4122
Echinococcus multilocularis muscleblind protein 0.0159 0.0262 0.0596
Echinococcus multilocularis neuroglian 0.0013 0.0005 0.001
Echinococcus granulosus neuroglian 0.0013 0.0005 0.001
Brugia malayi Immunoglobulin I-set domain containing protein 0.0164 0.027 0.0615
Echinococcus multilocularis carbonic anhydrase 0.1043 0.1811 0.4122
Echinococcus multilocularis carbonic anhydrase 0.1043 0.1811 0.4122
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1043 0.1811 0.4122
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0013 0.0006 0.0013
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0068 0.0154
Schistosoma mansoni carbonic anhydrase 0.1043 0.1811 0.1811
Plasmodium falciparum carbonic anhydrase 0.1043 0.1811 0.5
Mycobacterium ulcerans carbonic anhydrase 0.5711 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0068 0.0068
Echinococcus granulosus carbonic anhydrase II 0.2514 0.4393 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0164 0.027 0.0615
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0068 0.0068
Schistosoma mansoni cell adhesion molecule 0.0013 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0016 0.001 0.0023
Echinococcus granulosus twitchin 0.0013 0.0005 0.001
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2514 0.4393 0.5
Loa Loa (eye worm) hypothetical protein 0.1043 0.1811 0.4122
Trypanosoma brucei carbonic anhydrase-like protein 0.2514 0.4393 0.5
Schistosoma mansoni nephrin 0.0013 0.0005 0.0005
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1043 0.1811 0.4122
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.1043 0.1811 0.4122
Echinococcus multilocularis roundabout 2 0.0016 0.001 0.0023
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.2514 0.4393 1
Schistosoma mansoni carbonic anhydrase-related 0.1043 0.1811 0.1811
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0159 0.0262 0.0596

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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