Detailed information for compound 2071014

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.419 | Formula: C19H23N5O
  • H donors: 0 H acceptors: 3 LogP: 1.48 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cnn(c1)CC1OCCN(C1)Cc1nc2ccccc2nc1C
  • InChi: 1S/C19H23N5O/c1-14-9-20-24(10-14)12-16-11-23(7-8-25-16)13-19-15(2)21-17-5-3-4-6-18(17)22-19/h3-6,9-10,16H,7-8,11-13H2,1-2H3
  • InChiKey: BDOWHKUSDDWOCR-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
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0174 0.1681 0.1631
Loa Loa (eye worm) hypothetical protein 0.0066 0.0218 0.0218
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0784 1 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0368 0.4327 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0123 0.0996 0.0996
Trypanosoma cruzi MFS transporter, putative 0.0066 0.0218 0.0159
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0784 1 1
Loa Loa (eye worm) thymidylate synthase 0.0123 0.0996 0.0996
Onchocerca volvulus 0.0123 0.0996 1
Loa Loa (eye worm) hypothetical protein 0.009 0.0539 0.0539
Schistosoma mansoni patched 1 0.0323 0.3714 0.3714
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.009 0.0539 0.0539
Echinococcus multilocularis voltage dependent calcium channel 0.009 0.0539 0.0539
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.009 0.0539 0.0539
Echinococcus multilocularis sterol regulatory element binding protein 0.0323 0.3714 0.3714
Loa Loa (eye worm) hypothetical protein 0.0066 0.0218 0.0218
Echinococcus multilocularis thymidylate synthase 0.0123 0.0996 0.0996
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0784 1 1
Chlamydia trachomatis dihydrofolate reductase 0.005 0 0.5
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0174 0.1681 0.5
Brugia malayi hypothetical protein 0.0059 0.0114 0.0114
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0323 0.3714 0.3714
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0174 0.1681 0.5
Brugia malayi sodium-independent organic anion transporter family protein 0.0066 0.0218 0.0218
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0368 0.4327 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0218 0.0218
Brugia malayi hypothetical protein 0.0066 0.0218 0.0218
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.009 0.0539 0.0539
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0174 0.1681 0.1631
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0784 1 1
Schistosoma mansoni organic anion transporter 0.0066 0.0218 0.0218
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0066 0.0218 0.0218
Echinococcus multilocularis Niemann Pick C1 protein 0.0323 0.3714 0.3714
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0784 1 1
Loa Loa (eye worm) hypothetical protein 0.0323 0.3714 0.3714
Echinococcus granulosus Niemann Pick C1 protein 0.0323 0.3714 0.3714
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0368 0.4327 1
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0066 0.0218 0.0218
Loa Loa (eye worm) calcium channel 0.009 0.0539 0.0539
Echinococcus granulosus sterol regulatory element binding protein 0.0323 0.3714 0.3714
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.009 0.0539 0.0539
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.009 0.0539 0.0539
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0784 1 1
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.009 0.0539 0.0539
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.009 0.0539 0.0539
Loa Loa (eye worm) hypothetical protein 0.0066 0.0218 0.0218
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0066 0.0218 0.0218
Echinococcus multilocularis protein patched 0.0323 0.3714 0.3714
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0323 0.3714 0.3714
Echinococcus multilocularis protein dispatched 1 0.0323 0.3714 0.3714
Loa Loa (eye worm) hypothetical protein 0.0066 0.0218 0.0218
Mycobacterium ulcerans thymidylate synthase 0.0123 0.0996 0.0996
Echinococcus granulosus Solute carrier organic anion transporter family 0.0066 0.0218 0.0218
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0123 0.0996 1
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0784 1 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0218 0.0218
Echinococcus granulosus Protein patched homolog 1 0.0323 0.3714 0.3714
Loa Loa (eye worm) hypothetical protein 0.0066 0.0218 0.0218
Loa Loa (eye worm) hypothetical protein 0.0784 1 1
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.009 0.0539 0.0539
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0784 1 1
Brugia malayi sodium-independent organic anion transporter family protein 0.0066 0.0218 0.0218
Brugia malayi prostaglandin transporter 0.0066 0.0218 0.0218
Brugia malayi thymidylate synthase 0.0123 0.0996 0.0996
Echinococcus multilocularis voltage dependent calcium channel 0.009 0.0539 0.0539
Brugia malayi CHE-14 protein 0.0323 0.3714 0.3714
Echinococcus granulosus voltage dependent calcium channel 0.009 0.0539 0.0539
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0059 0.0114 0.0055
Trichomonas vaginalis conserved hypothetical protein 0.0323 0.3714 0.8543
Brugia malayi sodium-independent organic anion transporter family protein 0.0066 0.0218 0.0218
Schistosoma mansoni organic anion transporter 0.0066 0.0218 0.0218
Mycobacterium tuberculosis Hypothetical protein 0.0059 0.0114 0.1148
Schistosoma mansoni voltage-gated cation channel 0.009 0.0539 0.0539
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0368 0.4327 0.5
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0174 0.1681 1
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0066 0.0218 0.0218
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.009 0.0539 0.0539
Brugia malayi hypothetical protein 0.0066 0.0218 0.0218
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.009 0.0539 0.0539
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0123 0.0996 1
Echinococcus granulosus thymidylate synthase 0.0123 0.0996 0.0996

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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