Detailed information for compound 176265

Basic information

Technical information
  • TDR Targets ID: 176265
  • Name: 2-(furan-2-yl)prop-2-en-1-amine
  • MW: 123.152 | Formula: C7H9NO
  • H donors: 1 H acceptors: 0 LogP: 0.91 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCC(=C)c1ccco1
  • InChi: 1S/C7H9NO/c1-6(5-8)7-3-2-4-9-7/h2-4H,1,5,8H2
  • InChiKey: DAKOVWLRNPFXDL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2-furyl)prop-2-en-1-amine
  • 2-(2-furyl)-2-propen-1-amine
  • 2-(2-furyl)allylamine
  • 2-furan-2-ylprop-2-en-1-amine
  • 2-(2-furyl)prop-2-enylamine

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
Trichomonas vaginalis conserved hypothetical protein 0.0053 0 0.5
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0053 0 0.5
Trypanosoma cruzi monoglyceride lipase, putative 0.0053 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0053 0 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0053 0 0.5
Schistosoma mansoni Hyaluronidase 0.2237 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0053 0 0.5
Mycobacterium tuberculosis Possible lysophospholipase 0.0053 0 0.5
Loa Loa (eye worm) hyaluronidase 0.2237 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0053 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0053 0 0.5
Trypanosoma brucei monoglyceride lipase, putative 0.0053 0 0.5
Plasmodium falciparum lysophospholipase, putative 0.0053 0 0.5
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0053 0 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0053 0 0.5
Plasmodium falciparum lysophospholipase, putative 0.0053 0 0.5
Loa Loa (eye worm) hypothetical protein 0.095 0.4109 0.4043
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.2237 1 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0053 0 0.5
Plasmodium falciparum esterase, putative 0.0053 0 0.5
Mycobacterium ulcerans lysophospholipase 0.0053 0 0.5
Echinococcus granulosus bifunctional protein NCOAT 0.2237 1 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0053 0 0.5
Leishmania major monoglyceride lipase, putative 0.0053 0 0.5
Echinococcus multilocularis bifunctional protein NCOAT 0.2237 1 1
Trypanosoma brucei monoglyceride lipase, putative 0.0053 0 0.5
Plasmodium falciparum lysophospholipase, putative 0.0053 0 0.5
Plasmodium vivax PST-A protein 0.0053 0 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0053 0 0.5

Activities

Activity type Activity value Assay description Source Reference
k cat (binding) = 0.13 -1/min Compound was determined for the kinetic constantagainst Dopamine beta hydroxylase purified from beef adrenals, catalytic constant (kcat) ChEMBL. 3950911
k cat (binding) = 0.13 -1/min Compound was determined for the kinetic constantagainst Dopamine beta hydroxylase purified from beef adrenals, catalytic constant (kcat) ChEMBL. 3950911
k cat/Ki (binding) = 317 M-1 min-1 The ratio of Kinetic constant K cat / Ki of Dopamine Beta-hydroxylase inhibitor. ChEMBL. 3950911
Ki (binding) = 410 uM Compound was determined for the kinetic constant against Dopamine beta hydroxylase purified from beef adrenals, inhibitory constant (Ki) ChEMBL. 3950911
Ki (binding) = 410 uM Compound was determined for the kinetic constant against Dopamine beta hydroxylase purified from beef adrenals, inhibitory constant (Ki) ChEMBL. 3950911
Max MBP (functional) = -69 mmHg Compound was evaluated for the antihypertensive activity against DBH in conscious spontaneously hypertensive rats at the 100 doses (mg/Kg ip) after 79h. ChEMBL. 3950911
Max MBP (functional) = -26 mmHg Compound was evaluated for the antihypertensive activity against DBH in conscious spontaneously hypertensive rats at the 30 doses (mg/Kg ip) after 30h. ChEMBL. 3950911
Max MBP (functional) = -10 mmHg Compound was evaluated for the antihypertensive activity against DBH in conscious spontaneously hypertensive rats at the 10 doses (mg/Kg ip) after 1h. ChEMBL. 3950911

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.