Detailed information for compound 425964

Basic information

Technical information
  • TDR Targets ID: 425964
  • Name: 2-amino-4-(3-cyanophenyl)-4,7-dihydropyrano[2 ,3-e]indole-3-carbonitrile
  • MW: 312.325 | Formula: C19H12N4O
  • H donors: 2 H acceptors: 2 LogP: 3.14 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cccc(c1)C1C(=C(N)Oc2c1ccc1c2cc[nH]1)C#N
  • InChi: 1S/C19H12N4O/c20-9-11-2-1-3-12(8-11)17-14-4-5-16-13(6-7-23-16)18(14)24-19(22)15(17)10-21/h1-8,17,23H,22H2
  • InChiKey: GYXCTFPMYGTLRV-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-azanyl-4-(3-cyanophenyl)-4,7-dihydropyrano[2,3-e]indole-3-carbonitrile
  • 2-amino-4-(3-cyanophenyl)-4,7-dihydropyrano[6,5-e]indole-3-carbonitrile

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
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0044 1 1
Trypanosoma brucei cyclin 2 0.0027 0.5771 0.5771
Trypanosoma brucei cdc2-related kinase 1 0.0044 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0044 1 1
Plasmodium falciparum protein kinase 5 0.0044 1 1
Brugia malayi Protein kinase domain containing protein 0.0044 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0044 1 1
Plasmodium vivax protein kinase Crk2 0.0044 1 1
Trypanosoma cruzi cdc2-related kinase 1 0.0044 1 1
Toxoplasma gondii cyclin2 related protein 0.0027 0.5771 0.5771
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0044 1 1
Trypanosoma cruzi cdc2-related kinase 3 0.0044 1 1
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.9886 0.988
Trypanosoma cruzi cdc2-related kinase 3 0.0044 1 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.0027 0.5771 0.5771
Trypanosoma brucei cdc2-related kinase 3 0.0044 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0044 1 1
Trypanosoma brucei CYC2-like cyclin, putative 0.0027 0.5771 0.5771
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0044 1 1
Echinococcus multilocularis xenotropic and polytropic retrovirus receptor 1 0.0005 0.0489 0.0489
Trichomonas vaginalis CMGC family protein kinase 0.0044 1 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0044 1 1
Leishmania major sodium/sulphate symporter, putative 0.0005 0.0489 0.0489
Giardia lamblia Kinase, CMGC CDK 0.0044 1 1
Echinococcus multilocularis cyclin dependent kinase 0.0044 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.5771 0.5771
Giardia lamblia Xenotropic and polytropic murine leukemia virus receptor 0.0005 0.0489 0.0489
Echinococcus granulosus cyclin dependent kinase 0.0044 1 1
Toxoplasma gondii SPX domain-containing protein 0.0005 0.0489 0.0489
Entamoeba histolytica cell division protein kinase 2, putative 0.0044 1 1
Trypanosoma cruzi Low-affinity phosphate transporter PHO91 0.0005 0.0489 0.0489
Echinococcus multilocularis cyclin dependent kinase 5 0.0044 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0044 1 1
Toxoplasma gondii cyclin, N-terminal domain-containing protein 0.0027 0.5771 0.5771
Giardia lamblia Kinase, CMGC CDK 0.0044 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0489 0.0489
Trypanosoma cruzi CYC2-like cyclin 6, putative 0.0027 0.5771 0.5771
Entamoeba histolytica cell division protein kinase 2, putative 0.0044 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0044 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0044 1 1
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0044 1 1
Echinococcus granulosus xenotropic and polytropic retrovirus receptor 1 0.0005 0.0489 0.0489
Echinococcus granulosus cyclin dependent kinase 5 0.0044 1 1
Toxoplasma gondii vacuolar transporter chaperone VTC2 0.0005 0.0489 0.0489
Leishmania major CYC2-like cyclin, putative 0.0027 0.5771 0.5771
Echinococcus granulosus cyclin dependent kinase 1 0.0044 1 1
Trypanosoma cruzi cdc2-related kinase 1 0.0044 1 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0044 1 1
Trypanosoma cruzi CYC2-like cyclin 4, putative 0.0027 0.5771 0.5771
Schistosoma mansoni xenotropic and polytropic murine leukemia virus receptor xpr1 0.0005 0.0489 0.0489

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.043 uM Apoptosis inducing activity in human T47D cells by caspase activation assay ChEMBL. 17497765
EC50 (functional) = 0.043 uM Apoptosis inducing activity in human H1299 cells by caspase activation assay ChEMBL. 17497765
EC50 (functional) = 0.043 uM Apoptosis inducing activity in human T47D cells by caspase activation assay ChEMBL. 17497765

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17497765

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.

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