Detailed information for compound 1726262

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 488.453 | Formula: C25H31Cl2N5O
  • H donors: 1 H acceptors: 2 LogP: 5.26 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Nc1nc2c(n1C1CCN(CC1)Cc1ccccc1)cc(c(c2C(=O)N(C)C)Cl)Cl)C
  • InChi: 1S/C25H31Cl2N5O/c1-16(2)28-25-29-23-20(14-19(26)22(27)21(23)24(33)30(3)4)32(25)18-10-12-31(13-11-18)15-17-8-6-5-7-9-17/h5-9,14,16,18H,10-13,15H2,1-4H3,(H,28,29)
  • InChiKey: VDECKCDOMOEZAO-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 transient receptor potential cation channel, subfamily V, member 4 Starlite/ChEMBL References

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
Toxoplasma gondii alpha-tubulin I, putative 0.0182 0.7386 0.6814
Leishmania major alpha tubulin 0.0182 0.7386 0.6814
Echinococcus granulosus Tubulin alpha 1 chain 0.0182 0.7386 0.721
Echinococcus granulosus tubulin alpha chain 0.0182 0.7386 0.721
Echinococcus multilocularis muscleblind protein 0.0174 0.7051 0.6852
Trypanosoma brucei alpha tubulin 0.0182 0.7386 0.6814
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.013 0.5084 0.4008
Echinococcus multilocularis muscleblind protein 1 0.0174 0.7051 0.6852
Entamoeba histolytica tubulin alpha chain, putative 0.0182 0.7386 0.4682
Loa Loa (eye worm) hypothetical protein 0.003 0.0631 0.0631
Trypanosoma cruzi epsilon tubulin, putative 0.013 0.5084 0.4008
Plasmodium falciparum alpha tubulin 1 0.0182 0.7386 0.6814
Echinococcus multilocularis tubulin alpha 1C chain 0.0182 0.7386 0.721
Loa Loa (eye worm) tubulin gamma chain 0.013 0.5084 0.5084
Giardia lamblia Alpha-tubulin 0.0182 0.7386 0.6814
Trichomonas vaginalis tubulin beta chain, putative 0.0182 0.7386 0.6814
Brugia malayi tubulin alpha chain - mouse 0.0182 0.7386 0.7386
Plasmodium vivax tubulin alpha chain, putative 0.0182 0.7386 0.6814
Entamoeba histolytica tubulin alpha-1 chain 0.0182 0.7386 0.4682
Trichomonas vaginalis tubulin epsilon chain, putative 0.0182 0.7386 0.6814
Trichomonas vaginalis tubulin, putative 0.0074 0.2561 0.0932
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0108 0.4097 0.2805
Loa Loa (eye worm) hypothetical protein 0.0108 0.4097 0.4097
Mycobacterium ulcerans cell division protein FtsZ 0.0057 0.1796 0.5
Schistosoma mansoni tubulin subunit beta 0.0057 0.1796 0.1243
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1654 0.1092
Trichomonas vaginalis tubulin epsilon chain, putative 0.0182 0.7386 0.6814
Leishmania major alpha tubulin 0.0182 0.7386 0.6814
Echinococcus multilocularis Tubulin alpha 1 chain 0.0182 0.7386 0.721
Echinococcus granulosus alpha tubulin 0.0182 0.7386 0.721
Loa Loa (eye worm) tubulin alpha chain 0.0182 0.7386 0.7386
Trichomonas vaginalis tubulin gamma chain, putative 0.013 0.5084 0.4008
Brugia malayi Tubulin beta chain 0.0057 0.1796 0.1796
Echinococcus multilocularis tubulin alpha chain 0.0182 0.7386 0.721
Trichomonas vaginalis tubulin beta chain, putative 0.0182 0.7386 0.6814
Brugia malayi alpha-tubulin 0.0182 0.7386 0.7386
Echinococcus granulosus tubulin subunit TubB 0.0182 0.7386 0.721
Loa Loa (eye worm) intermediate filament protein 0.003 0.0631 0.0631
Echinococcus multilocularis hypothetical protein 0.0182 0.7386 0.721
Schistosoma mansoni tubulin subunit delta 0.0057 0.1796 0.1243
Brugia malayi Tubulin beta chain 0.0074 0.2561 0.2561
Leishmania major alpha tubulin 0.0182 0.7386 0.6814
Trichomonas vaginalis tubulin beta chain, putative 0.0182 0.7386 0.6814
Schistosoma mansoni tubulin subunit epsilon 0.013 0.5084 0.4753
Brugia malayi Tubulin gamma chain 0.013 0.5084 0.5084
Echinococcus granulosus tubulin alpha chain 0.0182 0.7386 0.721
Schistosoma mansoni tubulin subunit alpha 0.0182 0.7386 0.721
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1654 0.1092
Plasmodium vivax tubulin epsilon chain, putative 0.013 0.5084 0.4008
Schistosoma mansoni alpha tubulin 0.0182 0.7386 0.721
Echinococcus multilocularis tubulin alpha chain 0.0182 0.7386 0.721
Echinococcus multilocularis tubulin alpha chain 0.0182 0.7386 0.721
Brugia malayi Cell division protein ftsZ 0.0057 0.1796 0.1796
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1654 0.1092
Leishmania major alpha tubulin 0.0182 0.7386 0.6814
Loa Loa (eye worm) tubulin alpha chain 0.0182 0.7386 0.7386
Toxoplasma gondii alpha tubulin TUBA1 0.0182 0.7386 0.6814
Brugia malayi Tubulin alpha-2 chain 0.0182 0.7386 0.7386
Echinococcus granulosus tubulin alpha chain 0.0182 0.7386 0.721
Echinococcus multilocularis tubulin alpha chain 0.0182 0.7386 0.721
Brugia malayi intermediate filament protein 0.003 0.0631 0.0631
Leishmania major alpha tubulin 0.0182 0.7386 0.6814
Brugia malayi Tubulin alpha chain 0.0182 0.7386 0.7386
Leishmania major alpha tubulin 0.0182 0.7386 0.6814
Echinococcus granulosus peroxisome assembly protein 26 0.0182 0.7386 0.721
Echinococcus multilocularis Tubulin alpha 1 chain 0.0182 0.7386 0.721
Leishmania major alpha tubulin 0.0182 0.7386 0.6814
Giardia lamblia Gamma tubulin 0.013 0.5084 0.4008
Echinococcus granulosus Tubulin alpha 1 chain 0.0182 0.7386 0.721
Plasmodium falciparum tubulin gamma chain 0.013 0.5084 0.4008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1654 0.1092
Echinococcus multilocularis tubulin gamma 1 chain 0.013 0.5084 0.4753
Schistosoma mansoni tubulin subunit alpha 0.0182 0.7386 0.721
Loa Loa (eye worm) tubulin alpha-3 chain 0.0108 0.4097 0.4097
Brugia malayi Tubulin alpha chain 0.0057 0.1796 0.1796
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1654 0.1092
Trypanosoma cruzi tubulin gamma chain 0.013 0.5084 0.4008
Trypanosoma brucei alpha tubulin 0.0182 0.7386 0.6814
Trypanosoma brucei epsilon tubulin 0.013 0.5084 0.4008
Echinococcus multilocularis peroxisome assembly protein 26 0.0182 0.7386 0.721
Echinococcus multilocularis tubulin alpha 0.013 0.5084 0.4753
Loa Loa (eye worm) alpha-tubulin 0.0182 0.7386 0.7386
Trichomonas vaginalis tubulin beta chain, putative 0.0182 0.7386 0.6814
Plasmodium falciparum tubulin epsilon chain, putative 0.013 0.5084 0.4008
Leishmania major epsilon tubulin, putative 0.013 0.5084 0.4008
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0125 0.4862 0.3738
Loa Loa (eye worm) tubulin alpha 2 0.0125 0.4862 0.4862
Echinococcus granulosus tubulin epsilon chain 0.013 0.5084 0.4753
Mycobacterium leprae cell division protein FtsZ 0.0057 0.1796 0.5
Treponema pallidum cell division protein FtsZ 0.0057 0.1796 0.5
Trypanosoma cruzi epsilon tubulin, putative 0.013 0.5084 0.4008
Leishmania major alpha tubulin 0.0182 0.7386 0.6814
Echinococcus multilocularis Tubulin alpha 1 chain 0.0182 0.7386 0.721
Trypanosoma cruzi alpha tubulin, putative 0.0182 0.7386 0.6814
Schistosoma mansoni alpha tubulin 0.0182 0.7386 0.721
Echinococcus granulosus tubulin alpha chain 0.0182 0.7386 0.721
Trypanosoma brucei tubulin gamma chain 0.013 0.5084 0.4008
Echinococcus granulosus tubulin alpha 1C chain 0.0182 0.7386 0.721
Trichomonas vaginalis tubulin beta chain, putative 0.0182 0.7386 0.6814
Trypanosoma brucei alpha tubulin 0.0182 0.7386 0.6814
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1654 0.1092
Trichomonas vaginalis tubulin gamma chain, putative 0.013 0.5084 0.4008
Trichomonas vaginalis tubulin alpha chain, putative 0.0074 0.2561 0.0932
Echinococcus granulosus tubulin alpha 0.013 0.5084 0.4753
Echinococcus multilocularis tubulin alpha 3 chain 0.0182 0.7386 0.721
Echinococcus multilocularis tubulin alpha 3 chain 0.0182 0.7386 0.721
Brugia malayi Tubulin alpha-2 chain 0.0182 0.7386 0.7386
Echinococcus granulosus tubulin gamma 1 chain 0.013 0.5084 0.4753
Trichomonas vaginalis tubulin alpha chain, putative 0.0074 0.2561 0.0932
Giardia lamblia Alpha-tubulin 0.0182 0.7386 0.6814
Echinococcus granulosus muscleblind protein 0.0174 0.7051 0.6852
Loa Loa (eye worm) hypothetical protein 0.003 0.0606 0.0606
Echinococcus granulosus tubulin alpha 3 chain 0.0182 0.7386 0.721
Loa Loa (eye worm) tubulin alpha 2 0.0052 0.1574 0.1574
Trypanosoma brucei epsilon tubulin 0.013 0.5084 0.4008
Echinococcus multilocularis tubulin alpha 1C chain 0.0182 0.7386 0.721
Echinococcus multilocularis tubulin epsilon chain 0.013 0.5084 0.4753
Loa Loa (eye worm) alpha-tubulin 0.0182 0.7386 0.7386
Trypanosoma brucei alpha tubulin 0.0182 0.7386 0.6814
Plasmodium vivax tubulin gamma chain, putative 0.013 0.5084 0.4008
Loa Loa (eye worm) hypothetical protein 0.0125 0.4862 0.4862
Leishmania major alpha tubulin 0.0182 0.7386 0.6814
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0182 0.7386 0.6814
Echinococcus multilocularis tubulin delta chain 0.0057 0.1796 0.1243
Echinococcus granulosus tubulin alpha 1C chain 0.0182 0.7386 0.721
Trypanosoma brucei beta tubulin 0.013 0.5084 0.4008
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.1654 0.1654
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0057 0.1796 0.5
Echinococcus granulosus tubulin delta chain 0.0057 0.1796 0.1243
Plasmodium falciparum alpha tubulin 2 0.0182 0.7386 0.6814
Echinococcus granulosus Tubulin alpha 1 chain 0.0182 0.7386 0.721
Loa Loa (eye worm) tubulin beta chain 0.0057 0.1796 0.1796
Brugia malayi Muscleblind-like protein 0.0174 0.7051 0.7051
Trichomonas vaginalis tubulin, putative 0.0074 0.2561 0.0932
Plasmodium vivax tubulin alpha chain, putative 0.0182 0.7386 0.6814
Echinococcus granulosus tubulin alpha 3 chain 0.0182 0.7386 0.721
Schistosoma mansoni tubulin subunit alpha 0.0182 0.7386 0.721
Echinococcus multilocularis tubulin alpha chain 0.0182 0.7386 0.721
Loa Loa (eye worm) hypothetical protein 0.0174 0.7051 0.7051
Onchocerca volvulus 0.0074 0.2561 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0631 0.0631
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0074 0.2561 0.0932
Brugia malayi tubulin alpha-2 chain 0.0182 0.7386 0.7386
Trichomonas vaginalis tubulin alpha chain, putative 0.013 0.5084 0.4008
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0125 0.4862 0.4862
Trichomonas vaginalis tubulin beta chain, putative 0.0182 0.7386 0.6814
Trichomonas vaginalis tubulin alpha chain, putative 0.0074 0.2561 0.0932
Schistosoma mansoni tubulin subunit alpha 0.0057 0.1796 0.1243
Loa Loa (eye worm) hypothetical protein 0.0174 0.7051 0.7051
Loa Loa (eye worm) tubulin alpha 2 0.0125 0.4862 0.4862
Leishmania major alpha tubulin 0.0182 0.7386 0.6814
Echinococcus granulosus tubulin alpha chain 0.0182 0.7386 0.721
Trypanosoma brucei epsilon tubulin 0.013 0.5084 0.4008
Schistosoma mansoni alpha tubulin 0.0182 0.7386 0.721
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0631 0.0631
Loa Loa (eye worm) hypothetical protein 0.0182 0.7386 0.7386
Schistosoma mansoni tubulin subunit gamma 0.013 0.5084 0.4753
Mycobacterium tuberculosis Cell division protein FtsZ 0.0057 0.1796 0.5
Loa Loa (eye worm) tubulin alpha-2 chain 0.0182 0.7386 0.7386
Leishmania major alpha tubulin 0.0182 0.7386 0.6814
Trichomonas vaginalis tubulin beta chain, putative 0.0074 0.2561 0.0932
Leishmania major alpha tubulin 0.0182 0.7386 0.6814
Echinococcus multilocularis tubulin subunit TubB 0.0182 0.7386 0.721
Leishmania major gamma-tubulin 0.013 0.5084 0.4008
Trypanosoma brucei alpha tubulin, putative 0.0074 0.2561 0.0932
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1654 0.1092
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.1654 0.1654

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1000 nM Antagonist activity at human recombinant TRPV4 expressed in BacMam virus infected HEK MSRII cells assessed as inhibition of GSK1016790A-induced calcium immobilization treated 10 mins prior to TRPV4 agonist, GSK1016790A by FLIPR assay ChEMBL. 24900661

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.