Detailed information for compound 1631876

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 317.345 | Formula: C18H15N5O
  • H donors: 0 H acceptors: 3 LogP: 2.18 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(n1)n1nccc1c1ccc2c(c1)c(=O)n(cn2)C
  • InChi: 1S/C18H15N5O/c1-12-4-3-5-17(21-12)23-16(8-9-20-23)13-6-7-15-14(10-13)18(24)22(2)11-19-15/h3-11H,1-2H3
  • InChiKey: OWIYYKSTVQMPLM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus transforming growth factor, beta receptor I Starlite/ChEMBL References
Homo sapiens activin A receptor type II-like 1 Starlite/ChEMBL References
Homo sapiens activin A receptor, type IB Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus TGF beta receptor type 1 Get druggable targets OG5_129709 All targets in OG5_129709
Echinococcus multilocularis TGF beta receptor type 1 Get druggable targets OG5_129709 All targets in OG5_129709
Echinococcus multilocularis serine:threonine protein kinase receptor R3 Get druggable targets OG5_157629 All targets in OG5_157629
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase Get druggable targets OG5_129709 All targets in OG5_129709
Echinococcus granulosus TGF-beta receptor type-1 Get druggable targets OG5_129709 All targets in OG5_129709
Schistosoma japonicum ko:K04674 transforming growth factor, beta receptor I, putative Get druggable targets OG5_129709 All targets in OG5_129709
Brugia malayi bone morphogenetic protein type 1 receptor Get druggable targets OG5_129709 All targets in OG5_129709
Schistosoma mansoni protein kinase Get druggable targets OG5_129709 All targets in OG5_129709
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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0046 0 0.5
Leishmania major cathepsin L-like protease 0.0046 0 0.5
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.1656 0.374 0.374
Onchocerca volvulus Cathepsin L homolog 0.0046 0 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0046 0 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0046 0 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0046 0 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0046 0 0.5
Echinococcus granulosus TGF-beta receptor type-1 0.0498 0.1049 1
Toxoplasma gondii cathepsin CPC2 0.1656 0.374 0.374
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0046 0 0.5
Onchocerca volvulus 0.0046 0 0.5
Onchocerca volvulus 0.0046 0 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0046 0 0.5
Leishmania major cysteine peptidase A (CPA) 0.0046 0 0.5
Echinococcus multilocularis activin receptor type 0.029 0.0565 0.4075
Onchocerca volvulus 0.0046 0 0.5
Toxoplasma gondii cathepsin CPC1 0.4351 1 1
Schistosoma mansoni protein kinase 0.0498 0.1049 0.1049
Entamoeba histolytica cysteine proteinase, putative 0.0046 0 0.5
Schistosoma mansoni protein kinase 0.0289 0.0564 0.0564
Leishmania major cathepsin L-like protease 0.0046 0 0.5
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.4351 1 1
Onchocerca volvulus 0.0046 0 0.5
Leishmania major cathepsin L-like protease 0.0046 0 0.5
Brugia malayi bone morphogenetic protein type 1 receptor 0.0499 0.1052 1
Brugia malayi protein C17H12.11 0.0147 0.0234 0.2226
Onchocerca volvulus 0.0046 0 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0046 0 0.5
Trypanosoma cruzi cruzipain precursor, putative 0.0046 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0147 0.0234 0.2226
Echinococcus granulosus TGF beta receptor type 1 0.0498 0.1049 1
Brugia malayi hypothetical protein 0.0147 0.0234 0.2226
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0046 0 0.5
Loa Loa (eye worm) TKL/STKR/TYPE2 protein kinase 0.0148 0.0235 0.2238
Echinococcus granulosus activin receptor type 0.029 0.0565 0.5388
Echinococcus multilocularis TGF beta receptor type 1 0.0498 0.1049 0.7564
Trypanosoma cruzi cysteine peptidase, putative 0.0046 0 0.5
Leishmania major cathepsin L-like protease 0.0046 0 0.5
Leishmania major cathepsin L-like protease 0.0046 0 0.5
Leishmania major cathepsin L-like protease 0.0046 0 0.5
Entamoeba histolytica cysteine protease, putative 0.0046 0 0.5
Onchocerca volvulus Cathepsin F homolog 0.0046 0 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0046 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.2703 0.6172 1
Onchocerca volvulus Cathepsin L homolog 0.0046 0 0.5
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.4351 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0046 0 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0046 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0148 0.0235 0.2238
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.4351 1 1
Toxoplasma gondii preprocathepsin c precursor, putative 0.4351 1 1
Echinococcus multilocularis serine:threonine protein kinase receptor R3 0.0643 0.1387 1
Onchocerca volvulus 0.0046 0 0.5
Leishmania major cathepsin L-like protease 0.0046 0 0.5
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.1656 0.374 0.374
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0046 0 0.5
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.4351 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0046 0 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0046 0 0.5
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.0499 0.1052 1
Leishmania major cathepsin L-like protease 0.0046 0 0.5
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.4351 1 1
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.0148 0.0235 0.2238
Onchocerca volvulus 0.0046 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 13 nM Inhibition of ALK5 ChEMBL. 22542194
IC50 (binding) = 59 nM Inhibition of ALK4 ChEMBL. 22542194
IC50 (binding) = 211 nM Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay ChEMBL. 22542194
IC50 (binding) > 5 uM Inhibition of ALK1 ChEMBL. 22542194

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.

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