Detailed information for compound 410824

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 299.414 | Formula: C17H25N5
  • H donors: 0 H acceptors: 3 LogP: 2.6 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1nnc2n1CCc1c2n(nc1CC)C1CCCC1
  • InChi: 1S/C17H25N5/c1-3-7-15-18-19-17-16-13(10-11-21(15)17)14(4-2)20-22(16)12-8-5-6-9-12/h12H,3-11H2,1-2H3
  • InChiKey: VFNVUSQFRKXKQI-UHFFFAOYSA-N  


Substructure search Similarity search

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 Kinesin motor domain containing protein 0.0218 0.0473 0.0556
Echinococcus granulosus neuropeptide receptor A26 0.0448 0.1971 0.1724
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0246 0.0656 0.0622
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0486 0.222 0.261
Loa Loa (eye worm) hypothetical protein 0.0246 0.0656 0.0771
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0177 0.0207 0.5
Loa Loa (eye worm) hypothetical protein 0.0177 0.0207 0.0243
Brugia malayi Hemopexin family protein 0.0166 0.013 0.0153
Echinococcus multilocularis sodium and chloride dependent glycine 0.0246 0.0656 0.0421
Echinococcus multilocularis neuropeptide receptor A26 0.0448 0.1971 0.1769
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.145 0.8506 0.9915
Toxoplasma gondii hypothetical protein 0.0246 0.0656 1
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0246 0.0656 0.0771
Echinococcus granulosus serotonin transporter 0.145 0.8506 0.846
Loa Loa (eye worm) hypothetical protein 0.0217 0.0466 0.0548
Loa Loa (eye worm) serotonin transporter b 0.145 0.8506 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0246 0.0656 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0177 0.0207 0.0243
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.056 0.2701 0.2477
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0204 0.038 0.0296
Schistosoma mansoni sodium/chloride dependent transporter 0.145 0.8506 0.9915
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0204 0.038 0.5
Mycobacterium leprae PROBABLE HYDROLASE 0.0177 0.0207 0.5
Loa Loa (eye worm) hypothetical protein 0.0757 0.3985 0.4685
Brugia malayi Amyloid A4 extracellular domain containing protein 0.096 0.5313 0.6246
Loa Loa (eye worm) hypothetical protein 0.0246 0.0656 0.0771
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0183 0.0245 0.0136
Echinococcus granulosus presenilin 0.0204 0.038 0.0084
Loa Loa (eye worm) hypothetical protein 0.0246 0.0656 0.0771
Onchocerca volvulus 0.0246 0.0656 0.0771
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0246 0.0656 0.0421
Schistosoma mansoni kinesin eg-5 0.0218 0.0473 0.0406
Schistosoma mansoni sodium-dependent amino acid transporter 0.0246 0.0656 0.0622
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0246 0.0656 0.0771
Plasmodium falciparum transporter, putative 0.0246 0.0656 1
Echinococcus multilocularis presenilin 0.0204 0.038 0.0138
Loa Loa (eye worm) solute carrier family 6 member 4 0.145 0.8506 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0246 0.0656 0.0771
Echinococcus granulosus gamma secretase subunit aph 1 0.0486 0.222 0.1981
Echinococcus multilocularis kinesin family 1 0.1679 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0246 0.0656 0.0771
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0246 0.0656 0.0369
Onchocerca volvulus 0.0246 0.0656 0.0771
Giardia lamblia Kinesin-5 0.0218 0.0473 0.5
Loa Loa (eye worm) hypothetical protein 0.0385 0.156 0.1834
Onchocerca volvulus 0.0166 0.013 0.0153
Echinococcus multilocularis gamma secretase subunit aph 1 0.0486 0.222 0.2024
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0246 0.0656 0.0771
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0246 0.0656 0.0622
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0246 0.0656 0.0622
Mycobacterium ulcerans hydrolase 0.0177 0.0207 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0246 0.0656 0.0622
Loa Loa (eye worm) hypothetical protein 0.0246 0.0656 0.0771
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0217 0.0466 0.0397
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0246 0.0656 1
Schistosoma mansoni hypothetical protein 0.1461 0.8578 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0246 0.0656 0.0771
Brugia malayi gamma-secretase subunit pen-2 0.0191 0.0298 0.0351
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0204 0.038 0.5
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0246 0.0656 0.0369
Plasmodium vivax hypothetical protein, conserved 0.0246 0.0656 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0246 0.0656 0.0421
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0246 0.0656 0.0622
Echinococcus granulosus sodium and chloride dependent glycine 0.0246 0.0656 0.0369
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0246 0.0656 1
Loa Loa (eye worm) hypothetical protein 0.145 0.8506 1
Loa Loa (eye worm) hypothetical protein 0.0246 0.0656 0.0771
Loa Loa (eye worm) hypothetical protein 0.145 0.8506 1
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0204 0.038 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0246 0.0656 0.0622
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.056 0.2701 0.2518
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0204 0.038 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0246 0.0656 0.0622
Treponema pallidum sodium- and chloride- dependent transporter 0.145 0.8506 0.5
Loa Loa (eye worm) hypothetical protein 0.0407 0.1702 0.2001
Loa Loa (eye worm) hypothetical protein 0.0203 0.0374 0.044
Echinococcus multilocularis presenilin enhancer 2 0.0191 0.0298 0.0055
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0204 0.038 0.5
Brugia malayi Matrixin family protein 0.0382 0.1545 0.1817
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0246 0.0656 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.0246 0.0656 0.0369
Loa Loa (eye worm) norepinephrine transporter 0.145 0.8506 1
Schistosoma mansoni gamma-secretase subunit aph-1 0.0486 0.222 0.2474
Onchocerca volvulus Matrilysin homolog 0.0394 0.1622 0.1907
Plasmodium vivax amine transporter, putative 0.0246 0.0656 1
Brugia malayi Presenilin family protein 0.0204 0.038 0.0447
Entamoeba histolytica kinesin, putative 0.0218 0.0473 1
Loa Loa (eye worm) hypothetical protein 0.0246 0.0656 0.0771
Loa Loa (eye worm) hypothetical protein 0.0246 0.0656 0.0771
Schistosoma mansoni sodium/chloride dependent transporter 0.0246 0.0656 0.0622
Onchocerca volvulus 0.0246 0.0656 0.0771
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0246 0.0656 0.0622
Echinococcus granulosus adam 17 protease 0.0201 0.0364 0.0068
Onchocerca volvulus 0.145 0.8506 1
Brugia malayi gamma-secretase subunit aph-1 0.0486 0.222 0.261
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0246 0.0656 0.0369
Plasmodium falciparum amino acid transporter, putative 0.0246 0.0656 1
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.0191 0.0298 0.0351
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.0204 0.038 1
Loa Loa (eye worm) kinesin-like protein KLP2 0.0218 0.0473 0.0556
Schistosoma mansoni sodium/chloride dependent transporter 0.0246 0.0656 0.0622
Loa Loa (eye worm) matrixin family protein 0.0323 0.1156 0.1359
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0246 0.0656 0.0369
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0204 0.038 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.145 0.8506 1
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0246 0.0656 0.0421
Toxoplasma gondii hypothetical protein 0.0246 0.0656 1
Brugia malayi hypothetical protein 0.0246 0.0656 0.0771
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.035 0.1334 0.1425
Onchocerca volvulus Matrix metalloproteinase homolog 0.0323 0.1156 0.1359
Loa Loa (eye worm) hypothetical protein 0.145 0.8506 1
Echinococcus multilocularis serotonin transporter 0.145 0.8506 0.8468
Echinococcus multilocularis neuropeptide s receptor 0.0448 0.1971 0.1769
Echinococcus multilocularis sodium and chloride dependent glycine 0.0246 0.0656 0.0421
Loa Loa (eye worm) matrixin family protein 0.0382 0.1545 0.1817
Echinococcus granulosus neuropeptide s receptor 0.0448 0.1971 0.1724

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.18 uM Inhibition of human eosinophil phosphodiesterase ChEMBL. 17228876

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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