Detailed information for compound 80900

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 189.214 | Formula: C10H11N3O
  • H donors: 2 H acceptors: 1 LogP: 0.62 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N=C(N[C@@H]1Cc1ccccc1)N
  • InChi: 1S/C10H11N3O/c11-10-12-8(9(14)13-10)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H3,11,12,13,14)/t8-/m1/s1
  • InChiKey: BIRXIIDWAVKMQN-MRVPVSSYSA-N  


Substructure search Similarity search

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
Leishmania major eukaryotic initiation factor 4a, putative 0.0106 0.0348 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0106 0.0348 1
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0106 0.0348 0.5
Loa Loa (eye worm) hypothetical protein 0.0985 0.4989 0.4951
Echinococcus granulosus integrin beta 2 0.0731 0.3648 0.7497
Schistosoma mansoni integrin alpha-ps 0.0563 0.2757 0.4232
Brugia malayi Integrin beta pat-3 precursor 0.0892 0.4498 0.6979
Leishmania major eukaryotic initiation factor 4a, putative 0.0106 0.0348 0.5
Loa Loa (eye worm) hypothetical protein 0.015 0.0579 0.0508
Echinococcus granulosus integrin alpha ps 0.0563 0.2757 0.5666
Schistosoma mansoni integrin alpha-ps 0.0293 0.1334 0.1986
Mycobacterium ulcerans DNA polymerase IV 0.004 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.0137 0.0098
Echinococcus multilocularis integrin alpha ps 0.0563 0.2757 0.5666
Echinococcus multilocularis integrin alpha ps 0.027 0.1211 0.2488
Loa Loa (eye worm) hypothetical protein 0.0692 0.3442 0.3393
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0106 0.0348 1
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0106 0.0348 0.0714
Schistosoma mansoni hypothetical protein 0.0066 0.0137 0.0098
Loa Loa (eye worm) integrin beta-2 0.0892 0.4498 0.4456
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0329 0.1524 0.3133
Echinococcus multilocularis integrin beta 2 0.0731 0.3648 0.7497
Brugia malayi hypothetical protein 0.015 0.0579 0.0795
Loa Loa (eye worm) hypothetical protein 0.027 0.1211 0.1144
Schistosoma mansoni integrin alpha 0.1255 0.6412 1
Brugia malayi eukaryotic initiation factor 4A 0.0106 0.0348 0.043
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0106 0.0348 0.0714
Mycobacterium ulcerans DNA polymerase IV 0.004 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.0299 0.0354
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0106 0.0348 0.5
Echinococcus granulosus integrin alpha ps 0.027 0.1211 0.2488
Loa Loa (eye worm) hypothetical protein 0.0293 0.1334 0.1268
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0106 0.0348 1
Echinococcus multilocularis integrin alpha ps 0.0563 0.2757 0.5666
Echinococcus multilocularis integrin alpha 3 0.0962 0.4866 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0395 0.1875 0.284
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0683 0.3394 0.6976
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0106 0.0348 0.0714
Treponema pallidum ATP-dependent RNA helicase 0.0106 0.0348 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0106 0.0348 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.0348 0.0275
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0106 0.0348 0.5
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0106 0.0348 1
Schistosoma mansoni hypothetical protein 0.027 0.1211 0.1792
Schistosoma mansoni integrin beta subunit 0.0581 0.2856 0.4389
Echinococcus granulosus eukaryotic initiation factor 4A 0.0106 0.0348 0.0714
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0106 0.0348 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.0137 0.0063
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0055 0.0075 0.0154
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0055 0.0075 0.0154
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0683 0.3394 0.6976
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0106 0.0348 0.043
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0106 0.0348 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.0299 0.0226
Loa Loa (eye worm) hypothetical protein 0.0395 0.1875 0.1813
Loa Loa (eye worm) hypothetical protein 0.0949 0.4799 0.4759
Plasmodium vivax RNA helicase-1, putative 0.0106 0.0348 0.5
Brugia malayi Kelch motif family protein 0.015 0.0579 0.0795
Echinococcus granulosus integrin alpha 3 0.0962 0.4866 1
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0106 0.0348 0.5
Brugia malayi Integrin alpha pat-2 precursor 0.1255 0.6412 1
Plasmodium falciparum eukaryotic initiation factor 4A 0.0106 0.0348 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0329 0.1524 0.3133
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0106 0.0348 0.043
Loa Loa (eye worm) kelch domain-containing protein family protein 0.015 0.0579 0.0508
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0949 0.4799 0.7453

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) 0 mg kg-1 Compound was evaluated for the metrazole seizure test in mice after - 4 hr; data not available ChEMBL. 2061925
ED50 (functional) 0 mg kg-1 Compound was evaluated for the anticonvulsant activity by using minimal electroshock seizure test in mice after - 0.5 hr; ND- Not determined ChEMBL. 2061925
ED50 (functional) 0 mg kg-1 Compound was evaluated for the anticonvulsant activity by using minimal electroshock seizure test in mice after - 4 hr data not available ChEMBL. 2061925
ED50 (functional) = 300 mg kg-1 Compound was evaluated for the metrazole seizure test in mice after - 0.5 hr ChEMBL. 2061925
ED50 (functional) = 300 mg kg-1 Compound was evaluated for the metrazole seizure test in mice after - 0.5 hr ChEMBL. 2061925

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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