Detailed information for compound 992033

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 303.361 | Formula: C18H17N5
  • H donors: 2 H acceptors: 3 LogP: 3.72 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: n1ccc(cc1)Nc1nccc(n1)Nc1ccc2c(c1)CCC2
  • InChi: 1S/C18H17N5/c1-2-13-4-5-16(12-14(13)3-1)21-17-8-11-20-18(23-17)22-15-6-9-19-10-7-15/h4-12H,1-3H2,(H2,19,20,21,22,23)
  • InChiKey: FSIWNVBLSPDROY-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
Leishmania major ABC-thiol transporter 0.0015 0.6604 0.6604
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 1 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0003 0 0.5
Echinococcus granulosus multidrug resistance associated protein 7 0.0015 0.6604 0.6604
Entamoeba histolytica ATP-binding cassette protein, putative 0.0015 0.6604 0.6604
Trichomonas vaginalis DNA helicase recq, putative 0.002 1 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0015 0.6604 0.6604
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0003 0 0.5
Entamoeba histolytica hypothetical protein 0.0015 0.6604 0.6604
Schistosoma mansoni multidrug resistance protein 0.0015 0.6604 0.6604
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 1 1
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0015 0.6604 0.6604
Leishmania major p-glycoprotein e 0.0015 0.6604 0.6604
Mycobacterium tuberculosis Probable drugs-transport transmembrane ATP-binding protein ABC transporter 0.0003 0 0.5
Schistosoma mansoni multidrug resistance protein 0.0015 0.6604 0.6604
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.4118 1
Brugia malayi multidrug resistance related protein 1 0.0015 0.6604 0.6604
Loa Loa (eye worm) multidrug resistance-associated protein 0.0011 0.4677 0.4677
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 1 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 1 1
Trypanosoma brucei p-glycoprotein 0.0015 0.6604 0.6604
Giardia lamblia ABC transporter, putative 0.0015 0.6604 0.0201
Entamoeba histolytica ABC transporter, putative 0.0015 0.6604 0.6604
Mycobacterium tuberculosis Iron-regulated transporter IrtA 0.0003 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.6604 0.6604
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.001 0.4118 0.4118
Entamoeba histolytica recQ family helicase, putative 0.002 1 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0015 0.6604 0.6604
Loa Loa (eye worm) hypothetical protein 0.001 0.4118 0.4118
Giardia lamblia MRP-like ABC transporter 0.0015 0.6604 0.0201
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.4118 0.4118
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0003 0 0.5
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 1 1
Echinococcus multilocularis multidrug resistance associated protein 1 0.0015 0.6604 0.6604
Entamoeba histolytica ATP-binding cassette protein, putative 0.0015 0.6604 0.6604
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 1 1
Schistosoma mansoni multidrug resistance protein 0.0015 0.6604 0.6604
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0015 0.6604 0.6604
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 1 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 1 1
Trypanosoma brucei multidrug resistance protein E 0.0015 0.6604 0.6604
Schistosoma mansoni DNA helicase recq5 0.002 1 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 1 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.4118 0.4118
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0003 0 0.5
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0015 0.6604 0.6604
Echinococcus granulosus bloom syndrome protein 0.002 1 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0015 0.6604 0.0201
Treponema pallidum ATP-dependent DNA helicase 0.001 0.4118 0.5
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 1 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.4118 0.4118
Giardia lamblia Multidrug resistance-associated protein 1 0.0015 0.6604 0.0201
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.3885 0.3885
Loa Loa (eye worm) hypothetical protein 0.002 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0015 0.6604 0.6604
Onchocerca volvulus 0.0003 0 0.5
Trypanosoma cruzi hypothetical protein 0.0011 0.4607 0.4607
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0003 0 0.5
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 1 1
Leishmania major pentamidine resistance protein 1 0.0015 0.6604 0.6604
Trichomonas vaginalis DNA helicase recq, putative 0.002 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.6535 0.6535
Brugia malayi ABC transporter transmembrane region family protein 0.0015 0.6604 0.6604
Loa Loa (eye worm) RecQ helicase 0.002 1 1
Brugia malayi Bloom's syndrome protein homolog 0.002 1 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0015 0.6604 0.6604
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0003 0 0.5
Entamoeba histolytica recQ family DNA helicase 0.001 0.4118 0.4118
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0015 0.6604 0.6604
Entamoeba histolytica multidrug resistance protein, putative 0.0015 0.6604 0.6604
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0003 0 0.5
Echinococcus multilocularis multidrug resistance associated protein 4 0.0011 0.4607 0.4607
Echinococcus granulosus multidrug resistance associated protein 1 0.0015 0.6604 0.6604
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0015 0.6604 0.6604
Schistosoma mansoni DNA helicase recq1 0.002 1 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0003 0 0.5
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0003 0 0.5
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.3885 0.3885
Loa Loa (eye worm) hypothetical protein 0.0015 0.6604 0.6604
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0015 0.6604 0.6604
Trypanosoma cruzi multidrug resistance protein E, putative 0.0015 0.6604 0.6604
Entamoeba histolytica ATP-binding cassette protein, putative 0.0015 0.6604 0.6604
Trichomonas vaginalis DNA helicase recq1, putative 0.002 1 1
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0003 0 0.5
Giardia lamblia Sgs1 DNA helicase, putative 0.002 1 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.001 0.4118 0.4118
Echinococcus multilocularis bloom syndrome protein 0.002 1 1
Echinococcus multilocularis multidrug resistance associated protein 7 0.0015 0.6604 0.6604
Entamoeba histolytica recQ family helicase, putative 0.001 0.3885 0.3885
Schistosoma mansoni multidrug resistance protein 0.0015 0.6604 0.6604
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0015 0.6604 0.6604
Plasmodium vivax ATP-dependent DNA helicase Q1, putative 0.001 0.3885 0.9435
Echinococcus granulosus multidrug resistance associated protein 4 0.0011 0.4607 0.4607
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0003 0 0.5

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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