Detailed information for compound 1508194

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 441.355 | Formula: C19H26Cl2N6O2
  • H donors: 2 H acceptors: 2 LogP: 3.63 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCN/C(=N\C1=NC(=O)C(=O)N1C(C)C)/Nc1ccc(c(c1)Cl)Cl)CC
  • InChi: 1S/C19H26Cl2N6O2/c1-5-26(6-2)10-9-22-18(23-13-7-8-14(20)15(21)11-13)25-19-24-16(28)17(29)27(19)12(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H2,22,23,24,25,28)
  • InChiKey: NVNHXHHENPVCRD-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
Echinococcus granulosus Upstream activation factor subunit UAF30 0.029359 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.029359 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0102475 0.280464 1
Leishmania major hypothetical protein, conserved 0.0102475 0.280464 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0102475 0.280464 1
Loa Loa (eye worm) CYP4Cod1 0.00426615 0.0552677 0.0552677
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0102475 0.280464 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0102475 0.280464 0.23837
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0102475 0.280464 1
Schistosoma mansoni hypothetical protein 0.029359 1 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0102475 0.280464 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0102475 0.280464 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.029359 1 1
Leishmania major hypothetical protein, conserved 0.0102475 0.280464 1
Trypanosoma brucei hypothetical protein, conserved 0.0102475 0.280464 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.029359 1 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0102475 0.280464 1
Loa Loa (eye worm) hypothetical protein 0.0102475 0.280464 0.280464
Leishmania major hypothetical protein, conserved 0.0102475 0.280464 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0102475 0.280464 0.23837
Loa Loa (eye worm) hypothetical protein 0.0102475 0.280464 0.280464
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.029359 1 1
Schistosoma mansoni hypothetical protein 0.029359 1 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.029359 1 1
Loa Loa (eye worm) hypothetical protein 0.0102475 0.280464 0.280464
Trypanosoma cruzi WLM domain containing protein, putative 0.0102475 0.280464 1
Leishmania major hypothetical protein, conserved 0.0102475 0.280464 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.00426615 0.0552677 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.00426615 0.0552677 0.0552677
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0102475 0.280464 0.23837
Echinococcus granulosus SWI:SNF matrix associated 0.029359 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.029359 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0102475 0.280464 1
Plasmodium vivax hypothetical protein, conserved 0.029359 1 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0102475 0.280464 1
Schistosoma mansoni brg-1 associated factor 0.029359 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.029359 1 1
Onchocerca volvulus 0.029359 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0102475 0.280464 1
Leishmania major hypothetical protein, conserved 0.0102475 0.280464 1
Trichomonas vaginalis conserved hypothetical protein 0.029359 1 0.5
Brugia malayi YY1-associated factor 2 0.0102475 0.280464 0.23837
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0102475 0.280464 0.23837
Trypanosoma cruzi WLM domain containing protein, putative 0.0102475 0.280464 1
Loa Loa (eye worm) hypothetical protein 0.0102475 0.280464 0.280464
Echinococcus multilocularis SWI:SNF matrix associated 0.029359 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.00426615 0.0552677 0.0552677
Echinococcus multilocularis SWI:SNF matrix associated 0.029359 1 1
Loa Loa (eye worm) brahma associated protein 0.029359 1 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.029359 1 0.5
Chlamydia trachomatis SWIB complex protein 0.029359 1 0.5
Schistosoma mansoni hypothetical protein 0.029359 1 1
Brugia malayi SWIB/MDM2 domain containing protein 0.029359 1 1
Brugia malayi brahma associated protein 60 kDa 0.029359 1 1
Loa Loa (eye worm) hypothetical protein 0.0102475 0.280464 0.280464
Brugia malayi brahma associated protein 60 kDa 0.029359 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0102475 0.280464 1
Chlamydia trachomatis DNA topoisomerase I 0.029359 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 5 ug ml-1 Antimicrobial activity against Plasmodium falciparum TM91C235 by microdilution method ChEMBL. 21282058
IC50 (functional) > 5 ug ml-1 Antimicrobial activity against Plasmodium falciparum D6 by microdilution method ChEMBL. 21282058
IC50 (functional) > 5 ug ml-1 Antimicrobial activity against Plasmodium falciparum W2 by microdilution method ChEMBL. 21282058
MED (functional) > 160 mg/kg/day Antiplasmodial activity against Plasmodium berghei sporozoites infected in orally dosed mouse administered for three consecutive days one day before infection ChEMBL. 21282058
MTD (ADMET) >= 160 mg/kg/day Toxicity in Plasmodium berghei sporozoites infected orally dosed mouse administered for three consecutive days one day before infection ChEMBL. 21282058

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 21282058

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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