Detailed information for compound 424598

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 356.826 | Formula: C19H19ClN3O2-
  • H donors: 2 H acceptors: 2 LogP: 2.95 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@H](Cc1c[nH]cn1)N)Cc1ccc(cc1)Oc1ccccc1.[Cl-]
  • InChi: 1S/C19H19N3O2.ClH/c20-18(11-15-12-21-13-22-15)19(23)10-14-6-8-17(9-7-14)24-16-4-2-1-3-5-16;/h1-9,12-13,18H,10-11,20H2,(H,21,22);1H/p-1/t18-;/m0./s1
  • InChiKey: LMQWNYJJDDPCJQ-FERBBOLQSA-M  

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) solute carrier family 6 member 4 0.319 1 1
Loa Loa (eye worm) hypothetical protein 0.0541 0.1564 0.1564
Loa Loa (eye worm) hypothetical protein 0.0541 0.1564 0.1564
Mycobacterium ulcerans histidinol dehydrogenase 0.0876 0.2631 0.5
Mycobacterium tuberculosis Probable histidinol dehydrogenase HisD (HDH) 0.0876 0.2631 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.319 1 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0541 0.1564 0.0689
Echinococcus granulosus microtubule associated protein 2 0.0706 0.2087 0.1266
Loa Loa (eye worm) hypothetical protein 0.0541 0.1564 0.1564
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0541 0.1564 0.1564
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0541 0.1564 0.1541
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0541 0.1564 0.1541
Plasmodium falciparum transporter, putative 0.0541 0.1564 0.5
Onchocerca volvulus 0.319 1 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0541 0.1564 0.1564
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0541 0.1564 0.0689
Brugia malayi GnHR receptor homolog 0.0905 0.2721 0.2701
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0541 0.1564 0.1564
Echinococcus multilocularis sodium and chloride dependent glycine 0.0541 0.1564 0.0689
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0541 0.1564 0.1564
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0541 0.1564 0.1564
Loa Loa (eye worm) hypothetical protein 0.0541 0.1564 0.1564
Schistosoma mansoni sodium/chloride dependent transporter 0.0541 0.1564 0.1564
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0541 0.1564 0.1564
Echinococcus granulosus serotonin transporter 0.319 1 1
Schistosoma mansoni microtubule-associated protein tau 0.0706 0.2087 0.2087
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0541 0.1564 0.1564
Loa Loa (eye worm) norepinephrine transporter 0.319 1 1
Brugia malayi hypothetical protein 0.0541 0.1564 0.1541
Schistosoma mansoni sodium-dependent amino acid transporter 0.0541 0.1564 0.1564
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0027 0.0027
Plasmodium vivax hypothetical protein, conserved 0.0541 0.1564 0.5
Loa Loa (eye worm) hypothetical protein 0.0541 0.1564 0.1564
Echinococcus granulosus sodium and chloride dependent glycine 0.0541 0.1564 0.0689
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0541 0.1564 0.0689
Plasmodium falciparum amino acid transporter, putative 0.0541 0.1564 0.5
Loa Loa (eye worm) serotonin transporter b 0.319 1 1
Onchocerca volvulus 0.0541 0.1564 0.1564
Toxoplasma gondii hypothetical protein 0.0541 0.1564 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.319 1 1
Loa Loa (eye worm) hypothetical protein 0.319 1 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0541 0.1564 0.0689
Echinococcus granulosus sodium and chloride dependent glycine 0.0541 0.1564 0.0689
Mycobacterium leprae Probable histidinol dehydrogenase HisD (HDH) 0.0876 0.2631 0.5
Onchocerca volvulus 0.0541 0.1564 0.1564
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0541 0.1564 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0541 0.1564 0.0689
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0541 0.1564 0.5
Echinococcus multilocularis sodium and chloride dependent glycine 0.0541 0.1564 0.0689
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0541 0.1564 0.5
Treponema pallidum sodium- and chloride- dependent transporter 0.319 1 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0541 0.1564 0.1564
Loa Loa (eye worm) hypothetical protein 0.319 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0541 0.1564 0.1541
Schistosoma mansoni sodium/chloride dependent transporter 0.0541 0.1564 0.1564
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0541 0.1564 0.1564
Loa Loa (eye worm) hypothetical protein 0.319 1 1
Loa Loa (eye worm) hypothetical protein 0.0541 0.1564 0.1564
Echinococcus multilocularis microtubule associated protein 2 0.0706 0.2087 0.1266
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0541 0.1564 0.1541
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0541 0.1564 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0541 0.1564 0.1564
Onchocerca volvulus 0.0541 0.1564 0.1564
Echinococcus multilocularis serotonin transporter 0.319 1 1
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0541 0.1564 0.0689
Toxoplasma gondii hypothetical protein 0.0541 0.1564 0.5
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0541 0.1564 0.0689
Plasmodium vivax amine transporter, putative 0.0541 0.1564 0.5
Loa Loa (eye worm) hypothetical protein 0.0541 0.1564 0.1564

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 16 nM Inhibition of Brucella suis histidinol dehydrogenase ChEMBL. 17481905

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

1 literature reference was collected for this gene.

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