Detailed information for compound 1782938

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.865 | Formula: C22H19ClN4O2
  • H donors: 2 H acceptors: 3 LogP: 4.18 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCn1c(C)nc2c1ccc(c2)Cl)N/N=C/c1c(O)ccc2c1cccc2
  • InChi: 1S/C22H19ClN4O2/c1-14-25-19-12-16(23)7-8-20(19)27(14)11-10-22(29)26-24-13-18-17-5-3-2-4-15(17)6-9-21(18)28/h2-9,12-13,28H,10-11H2,1H3,(H,26,29)/b24-13+
  • InChiKey: UOGREVPDOVBDRF-ZMOGYAJESA-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
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0019 0.0064 0.0116
Plasmodium vivax hypothetical protein, conserved 0.0093 0.0831 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0093 0.0831 0.0772
Brugia malayi Tachykinin-like peptides receptor 99D 0.0019 0.0064 0.0116
Brugia malayi hypothetical protein 0.0019 0.0064 0.0116
Loa Loa (eye worm) G-protein coupled receptor 0.0019 0.0064 0.0064
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0378 0.3774 0.3734
Loa Loa (eye worm) hypothetical protein 0.0093 0.0831 0.0831
Plasmodium vivax amine transporter, putative 0.0093 0.0831 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0019 0.0064 0.0116
Loa Loa (eye worm) hypothetical protein 0.0093 0.0831 0.0831
Trichomonas vaginalis CAMK family protein kinase 0.0378 0.3774 0.5
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0378 0.3774 0.3734
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) neuropeptide F receptor 0.0019 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0093 0.0831 0.0831
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) melatonin receptor type 1A 0.0019 0.0064 0.0064
Echinococcus multilocularis serotonin transporter 0.0548 0.5533 0.5505
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Echinococcus multilocularis serotonin receptor 0.0981 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0093 0.0831 0.5
Loa Loa (eye worm) TTK protein kinase 0.0378 0.3774 0.3774
Brugia malayi Melatonin receptor type 1A 0.0019 0.0064 0.0116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0019 0.0064 0.0064
Brugia malayi larval opioid receptor 0.0019 0.0064 0.0116
Echinococcus granulosus sodium and chloride dependent glycine 0.0093 0.0831 0.0772
Loa Loa (eye worm) hypothetical protein 0.0548 0.5533 0.5533
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0981 1 1
Onchocerca volvulus 0.0093 0.0831 0.1403
Brugia malayi AKH receptor 0.0019 0.0064 0.0116
Brugia malayi hypothetical protein 0.0019 0.0064 0.0116
Brugia malayi hypothetical protein 0.0019 0.0064 0.0116
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0093 0.0831 0.1502
Brugia malayi hypothetical protein 0.0019 0.0064 0.0116
Brugia malayi G protein-coupled receptor 0.0019 0.0064 0.0116
Brugia malayi putative neuropeptide receptor NPR1 0.0019 0.0064 0.0116
Brugia malayi putative neuropeptide receptor 0.0019 0.0064 0.0116
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0093 0.0831 0.1502
Brugia malayi hypothetical protein 0.0019 0.0064 0.0116
Brugia malayi Dopamine receptor 0.0019 0.0064 0.0116
Loa Loa (eye worm) hypothetical protein 0.0548 0.5533 0.5533
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0378 0.3774 0.6783
Brugia malayi Serotonin receptor 0.0019 0.0064 0.0116
Plasmodium falciparum transporter, putative 0.0093 0.0831 0.5
Brugia malayi hypothetical protein 0.0019 0.0064 0.0116
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0093 0.0831 0.0772
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0019 0.0064 0.0116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0093 0.0831 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0019 0.0064 0.0116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Brugia malayi Serotonin receptor 0.0019 0.0064 0.0116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Brugia malayi G-protein coupled receptor 0.0019 0.0064 0.0116
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0019 0.0064 0.0116
Echinococcus granulosus serotonin transporter 0.0548 0.5533 0.5505
Brugia malayi neuropeptide F receptor 0.0019 0.0064 0.0116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0093 0.0831 0.0831
Echinococcus multilocularis sodium and chloride dependent glycine 0.0093 0.0831 0.0772
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Onchocerca volvulus 0.0093 0.0831 0.1403
Loa Loa (eye worm) solute carrier family 6 member 4 0.0548 0.5533 0.5533
Brugia malayi sulfakinin receptor protein 0.0019 0.0064 0.0116
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0093 0.0831 0.0772
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Brugia malayi Protein kinase domain containing protein 0.0378 0.3774 0.682
Treponema pallidum sodium- and chloride- dependent transporter 0.0548 0.5533 0.5
Brugia malayi neuropeptide F receptor 0.0019 0.0064 0.0116
Brugia malayi hypothetical protein 0.0019 0.0064 0.0116
Loa Loa (eye worm) hypothetical protein 0.0548 0.5533 0.5533
Loa Loa (eye worm) G-protein coupled receptor 0.0019 0.0064 0.0064
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0093 0.0831 0.0831
Schistosoma mansoni sodium/chloride dependent transporter 0.0548 0.5533 0.5505
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0093 0.0831 0.0772
Loa Loa (eye worm) neuropeptide F receptor 0.0019 0.0064 0.0064
Onchocerca volvulus 0.0093 0.0831 0.1403
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0093 0.0831 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0093 0.0831 0.1502
Schistosoma mansoni sodium-dependent amino acid transporter 0.0093 0.0831 0.0772
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0093 0.0831 0.0831
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0093 0.0831 0.0772
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Brugia malayi G protein-coupled receptor F59B2.13 0.0019 0.0064 0.0116
Toxoplasma gondii hypothetical protein 0.0093 0.0831 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0093 0.0831 0.0772
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Trypanosoma cruzi cytochrome P450, putative 0.0013 0 0.5
Loa Loa (eye worm) serotonin transporter b 0.0548 0.5533 0.5533
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0093 0.0831 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0093 0.0831 0.1502
Brugia malayi GnHR receptor homolog 0.0019 0.0064 0.0116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0093 0.0831 0.0772
Echinococcus multilocularis serotonin receptor 0.0981 1 1
Toxoplasma gondii hypothetical protein 0.0093 0.0831 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0013 0 0.5
Brugia malayi ORL1-like opioid receptor 0.0019 0.0064 0.0116
Brugia malayi hypothetical protein 0.0019 0.0064 0.0116
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0093 0.0831 0.0772
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0093 0.0831 0.0772
Loa Loa (eye worm) norepinephrine transporter 0.0548 0.5533 0.5533
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Leishmania major cytochrome p450-like protein 0.0013 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Brugia malayi follicle stimulating hormone receptor 0.0019 0.0064 0.0116
Trichomonas vaginalis CAMK family protein kinase 0.0378 0.3774 0.5
Plasmodium falciparum amino acid transporter, putative 0.0093 0.0831 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0093 0.0831 0.0772
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0019 0.0064 0.0064
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0093 0.0831 0.0772
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0548 0.5533 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0093 0.0831 0.0831
Brugia malayi hypothetical protein 0.0019 0.0064 0.0116
Loa Loa (eye worm) hypothetical protein 0.0093 0.0831 0.0831
Brugia malayi RE15519p 0.0019 0.0064 0.0116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Brugia malayi G-protein coupled receptor 0.0019 0.0064 0.0116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Echinococcus multilocularis sodium and chloride dependent glycine 0.0093 0.0831 0.0772
Brugia malayi hypothetical protein 0.0093 0.0831 0.1502
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0378 0.3774 0.3734
Giardia lamblia Kinase, TTK 0.0378 0.3774 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0019 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0093 0.0831 0.0772
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Echinococcus granulosus sodium and chloride dependent glycine 0.0093 0.0831 0.0772
Loa Loa (eye worm) hypothetical protein 0.0981 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0013 0 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0548 0.5533 0.5505
Onchocerca volvulus 0.0548 0.5533 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0019 0.0064 0.0064
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0093 0.0831 0.0772
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0019 0.0064 0.0064
Trypanosoma brucei cytochrome P450, putative 0.0013 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0093 0.0831 0.0772
Brugia malayi Dopamine receptor protein 2 0.0019 0.0064 0.0116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Schistosoma mansoni biogenic amine (5HT) receptor 0.0981 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0093 0.0831 0.0772
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Brugia malayi Dopamine receptor protein 1 0.0019 0.0064 0.0116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0093 0.0831 0.0772
Schistosoma mansoni sodium/chloride dependent transporter 0.0095 0.0856 0.0797
Brugia malayi hypothetical protein 0.0019 0.0064 0.0116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) TYRA-2 protein 0.0019 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0093 0.0831 0.0831

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 7.5 uM Antimicrobial activity against tolc-defecient Escherichia coli BW25113 after 17 hrs by two-fold serial dilution technique ChEMBL. 24044050

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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