Detailed information for compound 1734765

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 267.322 | Formula: C17H17NO2
  • H donors: 0 H acceptors: 1 LogP: 1.87 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#CCN([C@@H]1C[C@H](c2c1cccc2)OC(=O)C)CC#C
  • InChi: 1S/C17H17NO2/c1-4-10-18(11-5-2)16-12-17(20-13(3)19)15-9-7-6-8-14(15)16/h1-2,6-9,16-17H,10-12H2,3H3/t16-,17-/m1/s1
  • InChiKey: VJRUUJPBCGJWQR-IAGOWNOFSA-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 uncharacterized sodium dependent transporter 0.0048 0.0009 0.0009
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.2024 1 1
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0474 0.2164 0.2164
Loa Loa (eye worm) hypothetical protein 0.0048 0.0009 0.0004
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0281 0.1189 0.1182
Brugia malayi hypothetical protein 0.0048 0.0009 0.0002
Giardia lamblia Guanine phosphoribosyltransferase 0.2024 1 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0048 0.0009 0.0002
Loa Loa (eye worm) hypothetical protein 0.0048 0.0009 0.0004
Onchocerca volvulus Adenine phosphoribosyltransferase homolog 0.0474 0.2164 0.2156
Schistosoma mansoni sodium-dependent amino acid transporter 0.0048 0.0009 0.0002
Echinococcus multilocularis epidermal growth factor receptor 0.0148 0.0517 0.0517
Loa Loa (eye worm) TK/EGFR protein kinase 0.0148 0.0517 0.12
Echinococcus multilocularis sodium and chloride dependent glycine 0.0048 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0281 0.1189 0.2781
Toxoplasma gondii orotate phosphoribosyltransferase 0.0474 0.2164 0.2156
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.2024 1 1
Brugia malayi Protein kinase domain containing protein 0.0888 0.4255 0.4251
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0048 0.0009 0.0002
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0048 0.0009 0.0002
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0048 0.0009 0.0002
Loa Loa (eye worm) hypothetical protein 0.0048 0.0009 0.0004
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0048 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0048 0.0009 0.0004
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0048 0.0009 0.0002
Echinococcus granulosus uridine 5' monophosphate synthase 0.0474 0.2164 0.2158
Brugia malayi orotate phosphoribosyltransferase family protein 0.0474 0.2164 0.2158
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.0474 0.2164 0.5076
Schistosoma mansoni tyrosine kinase 0.0079 0.0166 0.0159
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.2024 1 1
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.2024 1 1
Loa Loa (eye worm) adenine phosphoribosyltransferase 0.0474 0.2164 0.5076
Schistosoma mansoni sodium/chloride dependent transporter 0.0281 0.1189 0.1182
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.2024 1 1
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0474 0.2164 0.2158
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0888 0.4255 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.008 0.0171 0.0163
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0047 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0048 0.0009 0.0004
Treponema pallidum adenine phosphoribosyltransferase 0.0474 0.2164 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.2024 1 1
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.2024 1 1
Plasmodium vivax orotate phosphoribosyltransferase, putative 0.0474 0.2164 0.2156
Wolbachia endosymbiont of Brugia malayi orotate phosphoribosyltransferase 0.0474 0.2164 0.5
Loa Loa (eye worm) norepinephrine transporter 0.0281 0.1189 0.2781
Loa Loa (eye worm) hypothetical protein 0.0048 0.0009 0.0004
Loa Loa (eye worm) hypothetical protein 0.0281 0.1189 0.2781
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0048 0.0009 0.0009
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.2024 1 1
Echinococcus multilocularis epidermal growth factor receptor 0.008 0.0171 0.0171
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0048 0.0009 0.0002
Schistosoma mansoni sodium/chloride dependent transporter 0.0048 0.0009 0.0002
Brugia malayi Furin-like cysteine rich region family protein 0.0148 0.0517 0.051
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0048 0.0009 0.0004
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0048 0.0009 0.0002
Echinococcus multilocularis serotonin transporter 0.0281 0.1189 0.1189
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.2024 1 1
Loa Loa (eye worm) serotonin transporter b 0.0281 0.1189 0.2781
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0048 0.0009 0.0002
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.2024 1 1
Echinococcus granulosus serotonin transporter 0.0281 0.1189 0.1182
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0048 0.0009 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0022 0.0014
Echinococcus multilocularis sodium and chloride dependent glycine 0.0048 0.0009 0.0009
Treponema pallidum hypothetical protein 0.0474 0.2164 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0281 0.1189 0.2781
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.2024 1 1
Schistosoma mansoni tyrosine kinase 0.0148 0.0517 0.051
Loa Loa (eye worm) hypothetical protein 0.0048 0.0009 0.0004
Loa Loa (eye worm) hypothetical protein 0.0281 0.1189 0.2781
Echinococcus multilocularis adenine phosphoribosyltransferase 0.0474 0.2164 0.2164
Echinococcus multilocularis insulin receptor 0.0047 0.0008 0.0008
Echinococcus granulosus adenine phosphoribosyltransferase 0.0474 0.2164 0.2158
Leishmania major xanthine phosphoribosyltransferase 0.2024 1 1
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0474 0.2164 0.2158
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0048 0.0009 0.0002
Echinococcus granulosus epidermal growth factor receptor 0.008 0.0171 0.0163
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0474 0.2164 0.2158
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.2024 1 1
Brugia malayi Adenine phosphoribosyltransferase 0.0474 0.2164 0.2158
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0048 0.0009 0.0002
Onchocerca volvulus 0.2024 1 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0474 0.2164 0.2158
Plasmodium falciparum orotate phosphoribosyltransferase 0.0474 0.2164 0.2156
Schistosoma mansoni uracil phosphoribosyltransferase 0.0474 0.2164 0.2158
Schistosoma mansoni tyrosine kinase 0.0079 0.0166 0.0159
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0048 0.0009 0.0002
Schistosoma mansoni serine/threonine protein kinase 0.0888 0.4255 0.4251
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.2024 1 1
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.155 0.7604 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.2024 1 1
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.2024 1 1
Echinococcus granulosus epidermal growth factor receptor 0.0148 0.0517 0.051
Wolbachia endosymbiont of Brugia malayi amidophosphoribosyltransferase 0.0474 0.2164 0.5
Schistosoma mansoni tyrosine kinase 0.008 0.0171 0.0163
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0474 0.2164 0.2158
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.2024 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0048 0.0009 0.0002
Schistosoma mansoni tyrosine kinase 0.008 0.0171 0.0163
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0048 0.0009 0.0002
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.2024 1 1
Onchocerca volvulus 0.0281 0.1189 0.1181
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0281 0.1189 0.1182
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0048 0.0009 0.0002
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.155 0.7604 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0048 0.0009 0.0002
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.2024 1 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0048 0.0009 0.0004
Schistosoma mansoni tyrosine kinase 0.0079 0.0166 0.0159
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.2024 1 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0048 0.0009 0.0002
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0048 0.0009 0.0002
Echinococcus granulosus sodium and chloride dependent glycine 0.0048 0.0009 0.0002
Treponema pallidum phosphoribosylpyrophosphate synthetase 0.0474 0.2164 1

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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