Detailed information for compound 188480

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 445.428 | Formula: C24H30Cl2N4
  • H donors: 0 H acceptors: 2 LogP: 7.11 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCN(c1cc(C)nc2c1n(C)nc2c1ccc(cc1Cl)Cl)CC1CC1
  • InChi: 1S/C24H30Cl2N4/c1-4-5-6-7-12-30(15-17-8-9-17)21-13-16(2)27-23-22(28-29(3)24(21)23)19-11-10-18(25)14-20(19)26/h10-11,13-14,17H,4-9,12,15H2,1-3H3
  • InChiKey: ZBIRMMNMDDEGQP-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens corticotropin releasing hormone receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR001879,Hormone receptor, extracellular,domain-containing Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130760 All targets in OG5_130760
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c corticotropin releasing hormone receptor 1 444 aa 445 aa 25.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0049 0 0.5
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.2999 0.9838 1
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Entamoeba histolytica hypothetical protein 0.0049 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0049 0 0.5
Entamoeba histolytica protein kinase, putative 0.0049 0 0.5
Plasmodium falciparum tyrosine kinase-like protein 0.0049 0 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0204 0.0519 0.0527
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Onchocerca volvulus 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0049 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Plasmodium vivax protein kinase, putative 0.0049 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0049 0 0.5
Plasmodium falciparum protein kinase, putative 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein kinase, putative 0.0049 0 0.5
Entamoeba histolytica protein kinase, putative 0.0049 0 0.5
Leishmania major protein kinase, putative 0.0049 0 0.5
Giardia lamblia Kinase, NEK 0.0049 0 0.5
Entamoeba histolytica tyrosine- protein kinase 2, putative 0.0049 0 0.5
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0049 0 0.5
Entamoeba histolytica cysteine surface protein, putative 0.0049 0 0.5
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis TK family protein kinase 0.0049 0 0.5
Entamoeba histolytica receptor protein kinase, putative 0.0049 0 0.5
Entamoeba histolytica serine/threonine kinase, putative 0.0049 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein kinase, putative 0.0049 0 0.5
Trypanosoma brucei Flagellum attachment zone protein 20 0.0049 0 0.5
Entamoeba histolytica serine/threonine kinase, putative 0.0049 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Plasmodium vivax tyrosine kinase-like protein, putative 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein kinase, putative 0.0049 0 0.5
Entamoeba histolytica hypothetical protein 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0049 0 0.5
Leishmania major protein kinase, putative 0.0049 0 0.5
Plasmodium vivax tyrosine kinase-like protein, putative 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein kinase, putative 0.0049 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0049 0 0.5
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0049 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein kinase, putative 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Onchocerca volvulus 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Onchocerca volvulus 0.0049 0 0.5
Onchocerca volvulus Tyrosine kinase homolog 0.0049 0 0.5
Onchocerca volvulus 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0049 0 0.5
Entamoeba histolytica protein kinase, putative 0.0049 0 0.5
Entamoeba histolytica tyrosin kinase, putative 0.0049 0 0.5
Onchocerca volvulus 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica hypothetical protein 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein kinase, putative 0.0049 0 0.5
Entamoeba histolytica protein kinase, putative 0.0049 0 0.5
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0049 0 0.5
Entamoeba histolytica protein kinase, putative 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein kinase, putative 0.0049 0 0.5
Entamoeba histolytica hypothetical protein 0.0049 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein kinase, putative 0.0049 0 0.5
Trichomonas vaginalis serine-threonine protein kinase, putative 0.0049 0 0.5
Entamoeba histolytica hypothetical protein 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein kinase, putative 0.0049 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0049 0 0.5
Toxoplasma gondii STE kinase 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Onchocerca volvulus 0.0049 0 0.5
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0049 0 0.5
Onchocerca volvulus 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Entamoeba histolytica tyrosin kinase, putative 0.0049 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Trypanosoma cruzi protein kinase, putative 0.0049 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0049 0 0.5
Entamoeba histolytica protein kinase, putative 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Entamoeba histolytica hypothetical protein 0.0049 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0039 0.0039
Onchocerca volvulus Tyrosine kinase receptor Cad96Ca homolog 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Onchocerca volvulus 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis br serine/threonine-protein kinase, putative 0.0049 0 0.5
Plasmodium falciparum protein kinase, putative 0.0049 0 0.5
Loa Loa (eye worm) TKL/MLK/LZK protein kinase 0.2999 0.9838 1
Entamoeba histolytica tyrosine kinase, putative 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Entamoeba histolytica ankyrin repeat protein 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0049 0 0.5
Entamoeba histolytica serine/threonine kinase, putative 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trypanosoma brucei protein kinase, putative 0.0049 0 0.5
Onchocerca volvulus 0.0049 0 0.5
Entamoeba histolytica serine/threonine kinase, putative 0.0049 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Trypanosoma brucei Pseudokinase, putative 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Giardia lamblia Protein 21.1 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica tyrosin kinase, putative 0.0049 0 0.5
Onchocerca volvulus 0.0049 0 0.5
Entamoeba histolytica leucine-rich repeat domain-containing protein 0.0049 0 0.5
Entamoeba histolytica serine/threonine kinase, putative 0.0049 0 0.5
Entamoeba histolytica protein kinase, putative 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica ankyrin repeat protein 0.0049 0 0.5
Trichomonas vaginalis STE family protein kinase 0.0049 0 0.5
Trypanosoma brucei AGC/RSK family serine/threonine kinase, putative 0.0049 0 0.5
Loa Loa (eye worm) hypothetical protein 0.2999 0.9838 1
Trichomonas vaginalis serine/threonine-protein kinase wnk, putative 0.0049 0 0.5
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0049 0 0.5
Entamoeba histolytica protein kinase, putative 0.0049 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0049 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0245 0.0656 0.0667
Loa Loa (eye worm) hypothetical protein 0.2999 0.9838 1
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Onchocerca volvulus 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Giardia lamblia Kinase 0.0049 0 0.5
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0049 0 0.5
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Brugia malayi Protein kinase domain containing protein 0.2999 0.9838 1
Onchocerca volvulus 0.0049 0 0.5
Onchocerca volvulus 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Toxoplasma gondii protein kinase domain-containing protein 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0049 0 0.5
Plasmodium falciparum tyrosine kinase-like protein 0.0049 0 0.5
Plasmodium falciparum protein kinase, putative 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Entamoeba histolytica protein kinase with ankyrin repeats, putative 0.0049 0 0.5
Onchocerca volvulus 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Giardia lamblia Kinase, NEK 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein kinase, putative 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis protein tyrosine kinase, putative 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0049 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0049 0 0.5
Entamoeba histolytica receptor protein kinase, putative 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0049 0 0.5
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0049 0 0.5
Onchocerca volvulus 0.0049 0 0.5
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.2999 0.9838 1
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0049 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0049 0 0.5
Entamoeba histolytica hypothetical protein 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0049 0 0.5
Entamoeba histolytica hypothetical protein 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein tyrosine kinase domain-containing protein 0.0049 0 0.5
Entamoeba histolytica hypothetical protein 0.0049 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0245 0.0656 0.0667
Entamoeba histolytica hypothetical protein 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Leishmania major hypothetical protein, conserved 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0204 0.0519 0.0527
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica tyrosin kinase, putative 0.0049 0 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0039 0.0039
Trichomonas vaginalis protein kinase atn1, putative 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica serine/threonine kinase, putative 0.0049 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0049 0 0.5
Entamoeba histolytica protein kinase, putative 0.0049 0 0.5
Entamoeba histolytica tyrosine kinase, putative 0.0049 0 0.5
Trypanosoma cruzi protein kinase, putative 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Entamoeba histolytica hypothetical protein 0.0049 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0049 0 0.5
Toxoplasma gondii protein kinase 0.0049 0 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0049 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1 nM Binding affinity towards Corticotropin releasing factor receptor 1 was measured through displacement of [125I]-sauvagine expressed in HEK293 cells ChEMBL. 12951128
Ki (binding) = 1 nM Binding affinity towards Corticotropin releasing factor receptor 1 was measured through displacement of [125I]-sauvagine expressed in HEK293 cells ChEMBL. 12951128

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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