Detailed information for compound 1786619

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 341.366 | Formula: C20H15N5O
  • H donors: 0 H acceptors: 4 LogP: 2.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(=C[C-](C(=O)c1ccc(cc1)C#N)[n+]1ccc(cc1)N(C)C)C#N
  • InChi: 1S/C20H15N5O/c1-24(2)18-7-9-25(10-8-18)19(11-16(13-22)14-23)20(26)17-5-3-15(12-21)4-6-17/h3-11H,1-2H3
  • InChiKey: VWODMHHUZMXACY-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi Thioredoxin reductase 0.0038 0.0139 0.0316
Mycobacterium tuberculosis Probable reductase 0.0088 0.3769 0.8342
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.4382 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0088 0.3769 0.8342
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1854 0.1854
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0139 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.0096 0.4382 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0097 0.4491 1
Brugia malayi Melibiase family protein 0.0069 0.2422 0.5527
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0104 0.4978 0.4978
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.0177 0.0177
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.1854 0.3544
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1854 0.5
Schistosoma mansoni hypothetical protein 0.0172 1 1
Plasmodium falciparum thioredoxin reductase 0.0038 0.0139 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.4382 1
Echinococcus multilocularis geminin 0.0172 1 1
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0104 0.4978 0.4978
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.4382 0.4382
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0104 0.4978 0.4978
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0096 0.4382 0.4382
Plasmodium vivax glutathione reductase, putative 0.0038 0.0139 0.5
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0069 0.2422 0.4516
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0104 0.4978 0.4978
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.4382 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.0177 0.0177
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.1854 0.1854
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0104 0.4978 0.4978
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0097 0.4491 1
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.4382 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.4382 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1854 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1854 0.1854
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.4382 1
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0104 0.4978 0.4978
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0104 0.4978 0.4978
Plasmodium falciparum glutathione reductase 0.0038 0.0139 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.2422 0.5381
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0096 0.4382 0.4382
Entamoeba histolytica serine/threonine protein kinase, putative 0.0096 0.4382 1
Schistosoma mansoni kinase 0.0049 0.0901 0.0901
Giardia lamblia Kinase, PLK 0.0096 0.4382 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0097 0.4491 1
Toxoplasma gondii melibiase subfamily protein 0.0104 0.4978 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0069 0.2422 0.2422
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.4382 1
Brugia malayi glutathione reductase 0.0038 0.0139 0.0316
Trypanosoma brucei polo-like protein kinase 0.0096 0.4382 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0088 0.3769 0.8342
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0096 0.4382 1
Schistosoma mansoni hypothetical protein 0.0172 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1854 0.5
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0088 0.3769 0.8342
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0096 0.4382 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.1854 0.3941
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.1854 0.4042
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0097 0.4491 1
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.4382 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0096 0.4382 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0069 0.2422 0.2422
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0088 0.3769 0.8342
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.4382 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.1854 0.1854
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0088 0.3769 0.8342

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 23.85 uM Inhibition of recombinant human farnesyltransferase using Dansyl-GCVLS as substrate measured for 15 mins by fluorimetric analysis ChEMBL. 24054122
Inhibition (binding) = 77 % Inhibition of recombinant human farnesyltransferase using Dansyl-GCVLS as substrate at 100 uM measured for 15 mins by fluorimetric analysis relative to control ChEMBL. 24054122

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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