Detailed information for compound 1724547

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 370.447 | Formula: C23H22N4O
  • H donors: 1 H acceptors: 2 LogP: 5.1 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)Oc1ccc(cc1)c1nc(n2c1c(N)ncc2)C1CCC1
  • InChi: 1S/C23H22N4O/c1-15-4-2-7-19(14-15)28-18-10-8-16(9-11-18)20-21-22(24)25-12-13-27(21)23(26-20)17-5-3-6-17/h2,4,7-14,17H,3,5-6H2,1H3,(H2,24,25)
  • InChiKey: CELURADMDMYMSS-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 tyrosine kinase, non-receptor, 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR011009,Protein kinase-like;IPR010993,Sterile alpha motif homology;IPR000719,Protein kinase;IPR015779,ACK tyrosine protein ki Get druggable targets OG5_131365 All targets in OG5_131365
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131365 All targets in OG5_131365
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131365 All targets in OG5_131365
Echinococcus granulosus activated cdc42 kinase 1 Get druggable targets OG5_131365 All targets in OG5_131365
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131365 All targets in OG5_131365
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_131365 All targets in OG5_131365
Echinococcus granulosus activated cdc42 kinase 1 Get druggable targets OG5_131365 All targets in OG5_131365
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_131365 All targets in OG5_131365
Echinococcus multilocularis transfer RNA-Thr Get druggable targets OG5_131365 All targets in OG5_131365
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131365 All targets in OG5_131365
Echinococcus multilocularis protein KINase family member (kin 25) Get druggable targets OG5_131365 All targets in OG5_131365
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131365 All targets in OG5_131365
Schistosoma japonicum Activated CDC42 kinase 2, putative Get druggable targets OG5_131365 All targets in OG5_131365
Echinococcus granulosus tyrosine protein kinase Btk29A Get druggable targets OG5_131365 All targets in OG5_131365
Echinococcus multilocularis activated cdc42 kinase 1 Get druggable targets OG5_131365 All targets in OG5_131365

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
Trichomonas vaginalis tubulin beta chain, putative 0.0203 0.6567 0.6486
Echinococcus multilocularis activated cdc42 kinase 1 0.02 0.6448 0.6448
Plasmodium falciparum tubulin gamma chain 0.0145 0.3544 0
Echinococcus multilocularis hypothetical protein 0.0203 0.6567 0.6567
Echinococcus multilocularis Tubulin alpha 1 chain 0.0203 0.6567 0.6567
Leishmania major alpha tubulin 0.0203 0.6567 0.4682
Giardia lamblia Alpha-tubulin 0.0203 0.6567 0.4682
Trypanosoma brucei alpha tubulin 0.0203 0.6567 0.6486
Entamoeba histolytica tubulin alpha chain, putative 0.0203 0.6567 0.4682
Plasmodium falciparum tubulin epsilon chain, putative 0.0145 0.3544 0
Echinococcus granulosus tubulin alpha 3 chain 0.0203 0.6567 0.6567
Trypanosoma brucei alpha tubulin 0.0203 0.6567 0.6486
Toxoplasma gondii alpha-tubulin I, putative 0.0203 0.6567 0.4682
Echinococcus multilocularis tubulin gamma 1 chain 0.0145 0.3544 0.3544
Echinococcus granulosus tubulin alpha chain 0.0203 0.6567 0.6567
Trypanosoma cruzi epsilon tubulin, putative 0.0145 0.3544 0
Trypanosoma cruzi epsilon tubulin, putative 0.0145 0.3544 0
Echinococcus multilocularis tubulin alpha chain 0.0203 0.6567 0.6567
Brugia malayi Tubulin alpha-2 chain 0.0203 0.6567 0.6486
Echinococcus granulosus peroxisome assembly protein 26 0.0203 0.6567 0.6567
Leishmania major alpha tubulin 0.0203 0.6567 0.4682
Leishmania major alpha tubulin 0.0203 0.6567 0.4682
Schistosoma mansoni alpha tubulin 0.0203 0.6567 0.6567
Echinococcus multilocularis tubulin alpha chain 0.0203 0.6567 0.6567
Trichomonas vaginalis tubulin beta chain, putative 0.0203 0.6567 0.6486
Echinococcus multilocularis tubulin subunit TubB 0.0203 0.6567 0.6567
Loa Loa (eye worm) tubulin alpha-2 chain 0.0203 0.6567 0.6567
Brugia malayi alpha-tubulin 0.0203 0.6567 0.6486
Echinococcus granulosus tubulin alpha chain 0.0203 0.6567 0.6567
Leishmania major alpha tubulin 0.0203 0.6567 0.4682
Echinococcus granulosus tubulin gamma 1 chain 0.0145 0.3544 0.3544
Schistosoma mansoni tubulin subunit epsilon 0.0145 0.3544 0.3544
Trypanosoma cruzi tubulin gamma chain 0.0145 0.3544 0
Trichomonas vaginalis tubulin epsilon chain, putative 0.0203 0.6567 0.6486
Echinococcus granulosus Tubulin alpha 1 chain 0.0203 0.6567 0.6567
Leishmania major gamma-tubulin 0.0145 0.3544 0
Loa Loa (eye worm) tubulin alpha 2 0.014 0.3252 0.3252
Plasmodium vivax tubulin gamma chain, putative 0.0145 0.3544 0
Echinococcus multilocularis tubulin alpha chain 0.0203 0.6567 0.6567
Trypanosoma cruzi alpha tubulin, putative 0.0203 0.6567 0.4682
Plasmodium vivax tubulin alpha chain, putative 0.0203 0.6567 0.4682
Echinococcus granulosus tubulin alpha 1C chain 0.0203 0.6567 0.6567
Leishmania major alpha tubulin 0.0203 0.6567 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0203 0.6567 0.6486
Entamoeba histolytica tubulin alpha-1 chain 0.0203 0.6567 0.4682
Echinococcus granulosus tubulin alpha 0.0145 0.3544 0.3544
Brugia malayi tubulin alpha-2 chain 0.0203 0.6567 0.6486
Trypanosoma brucei tubulin gamma chain 0.0145 0.3544 0.3392
Plasmodium vivax tubulin epsilon chain, putative 0.0145 0.3544 0
Trichomonas vaginalis tubulin gamma chain, putative 0.0145 0.3544 0.3392
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0145 0.3544 0
Trypanosoma brucei epsilon tubulin 0.0145 0.3544 0.3392
Echinococcus multilocularis transfer RNA-Thr 0.02 0.6448 0.6448
Loa Loa (eye worm) alpha-tubulin 0.0203 0.6567 0.6567
Echinococcus granulosus tubulin alpha chain 0.0203 0.6567 0.6567
Echinococcus granulosus tubulin alpha chain 0.0203 0.6567 0.6567
Echinococcus granulosus Tubulin alpha 1 chain 0.0203 0.6567 0.6567
Leishmania major alpha tubulin 0.0203 0.6567 0.4682
Giardia lamblia Gamma tubulin 0.0145 0.3544 0
Trypanosoma brucei epsilon tubulin 0.0145 0.3544 0.3392
Echinococcus multilocularis tubulin alpha chain 0.0203 0.6567 0.6567
Echinococcus multilocularis Tubulin alpha 1 chain 0.0203 0.6567 0.6567
Schistosoma mansoni tubulin subunit alpha 0.0203 0.6567 0.6567
Echinococcus granulosus activated cdc42 kinase 1 0.02 0.6448 0.6448
Trypanosoma brucei alpha tubulin 0.0203 0.6567 0.6486
Loa Loa (eye worm) tubulin alpha chain 0.0203 0.6567 0.6567
Echinococcus granulosus tubulin alpha 3 chain 0.0203 0.6567 0.6567
Echinococcus multilocularis tubulin epsilon chain 0.0145 0.3544 0.3544
Echinococcus granulosus activated cdc42 kinase 1 0.02 0.6448 0.6448
Loa Loa (eye worm) tubulin alpha 2 0.014 0.3252 0.3252
Leishmania major alpha tubulin 0.0203 0.6567 0.4682
Trichomonas vaginalis tubulin beta chain, putative 0.0203 0.6567 0.6486
Echinococcus multilocularis Tubulin alpha 1 chain 0.0203 0.6567 0.6567
Echinococcus multilocularis tubulin alpha 3 chain 0.0203 0.6567 0.6567
Echinococcus granulosus tubulin epsilon chain 0.0145 0.3544 0.3544
Trypanosoma brucei alpha tubulin 0.0203 0.6567 0.6486
Schistosoma mansoni alpha tubulin 0.0203 0.6567 0.6567
Plasmodium falciparum alpha tubulin 2 0.0203 0.6567 0.4682
Brugia malayi Tubulin alpha chain 0.0203 0.6567 0.6486
Echinococcus granulosus Tubulin alpha 1 chain 0.0203 0.6567 0.6567
Loa Loa (eye worm) tubulin gamma chain 0.0145 0.3544 0.3544
Giardia lamblia Alpha-tubulin 0.0203 0.6567 0.4682
Schistosoma mansoni alpha tubulin 0.0203 0.6567 0.6567
Plasmodium falciparum alpha tubulin 1 0.0203 0.6567 0.4682
Echinococcus granulosus tubulin alpha chain 0.0203 0.6567 0.6567
Echinococcus multilocularis tubulin alpha chain 0.0203 0.6567 0.6567
Schistosoma mansoni tubulin subunit alpha 0.0203 0.6567 0.6567
Loa Loa (eye worm) hypothetical protein 0.0199 0.6394 0.6394
Loa Loa (eye worm) tubulin alpha chain 0.0203 0.6567 0.6567
Brugia malayi Tubulin gamma chain 0.0145 0.3544 0.3392
Trichomonas vaginalis tubulin beta chain, putative 0.0203 0.6567 0.6486
Leishmania major alpha tubulin 0.0203 0.6567 0.4682
Echinococcus granulosus tubulin alpha 1C chain 0.0203 0.6567 0.6567
Echinococcus multilocularis tubulin alpha 1C chain 0.0203 0.6567 0.6567
Toxoplasma gondii alpha tubulin TUBA1 0.0203 0.6567 0.4682
Loa Loa (eye worm) alpha-tubulin 0.0203 0.6567 0.6567
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.014 0.3252 0.3094
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0203 0.6567 0.6486
Brugia malayi Tubulin alpha-2 chain 0.0203 0.6567 0.6486
Echinococcus multilocularis peroxisome assembly protein 26 0.0203 0.6567 0.6567
Trichomonas vaginalis tubulin alpha chain, putative 0.0145 0.3544 0.3392
Trichomonas vaginalis tubulin epsilon chain, putative 0.0203 0.6567 0.6486
Leishmania major alpha tubulin 0.0203 0.6567 0.4682
Plasmodium vivax tubulin alpha chain, putative 0.0203 0.6567 0.4682
Trypanosoma brucei epsilon tubulin 0.0145 0.3544 0.3392
Loa Loa (eye worm) hypothetical protein 0.0203 0.6567 0.6567
Leishmania major epsilon tubulin, putative 0.0145 0.3544 0
Leishmania major alpha tubulin 0.0203 0.6567 0.4682
Trichomonas vaginalis tubulin gamma chain, putative 0.0145 0.3544 0.3392
Trichomonas vaginalis tubulin beta chain, putative 0.0203 0.6567 0.6486
Loa Loa (eye worm) hypothetical protein 0.02 0.6448 0.6448
Trypanosoma brucei beta tubulin 0.0145 0.3544 0.3392
Entamoeba histolytica tubulin gamma chain 0.0145 0.3544 0
Echinococcus granulosus tubulin subunit TubB 0.0203 0.6567 0.6567
Loa Loa (eye worm) hypothetical protein 0.014 0.3252 0.3252
Leishmania major alpha tubulin 0.0203 0.6567 0.4682
Brugia malayi tubulin alpha chain - mouse 0.0203 0.6567 0.6486
Echinococcus granulosus alpha tubulin 0.0203 0.6567 0.6567
Brugia malayi Protein kinase domain containing protein 0.02 0.6448 0.6365
Leishmania major alpha tubulin 0.0203 0.6567 0.4682
Echinococcus multilocularis tubulin alpha 0.0145 0.3544 0.3544
Echinococcus multilocularis tubulin alpha 1C chain 0.0203 0.6567 0.6567
Schistosoma mansoni tubulin subunit gamma 0.0145 0.3544 0.3544
Loa Loa (eye worm) alpha-tubulin isotype 2 0.014 0.3252 0.3252
Schistosoma mansoni tubulin subunit alpha 0.0203 0.6567 0.6567
Echinococcus multilocularis tubulin alpha 3 chain 0.0203 0.6567 0.6567

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 238 nM BindingDB_Patents: AlphaScreen Assay. AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity. ChEMBL. No reference
IC50 (binding) = 0.24 uM Inhibition of ACK1 (unknown origin) by biochemical assay ChEMBL. 23317569

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.