Detailed information for compound 886134

Basic information

Technical information
  • TDR Targets ID: 886134
  • Name: 1-[2-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyr azolidin-1-yl]-3-methylbut-2-en-1-one
  • MW: 312.406 | Formula: C19H24N2O2
  • H donors: 0 H acceptors: 2 LogP: 3.17 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=CC(=O)N1CCCN1C(=O)CC1Cc2c(C1)cccc2)C
  • InChi: 1S/C19H24N2O2/c1-14(2)10-18(22)20-8-5-9-21(20)19(23)13-15-11-16-6-3-4-7-17(16)12-15/h3-4,6-7,10,15H,5,8-9,11-13H2,1-2H3
  • InChiKey: GQFXZQGBFJJYDM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[2-(2-indan-2-ylacetyl)pyrazolidin-1-yl]-3-methyl-but-2-en-1-one
  • 1-[2-[2-(2-indanyl)-1-oxoethyl]-1-pyrazolidinyl]-3-methylbut-2-en-1-one
  • 1-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethanoyl]pyrazolidin-1-yl]-3-methyl-but-2-en-1-one
  • Oprea1_191586

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 Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0112 0.017 0.017
Echinococcus multilocularis wd40 repeat 0.007 0.0016 0.002
Schistosoma mansoni integrin alpha 0.0148 0.0303 0.0303
Onchocerca volvulus 0.012 0.0199 0.9053
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0719 0.2405 0.4175
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0125 0.022 0.5
Schistosoma mansoni site-1 peptidase (S08 family) 0.0125 0.022 0.022
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0593 0.1944 0.3373
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.278 1 1
Echinococcus multilocularis 0.2212 0.791 1
Trichomonas vaginalis conserved hypothetical protein 0.0567 0.1848 0.3207
Echinococcus multilocularis aminopeptidase N 0.012 0.0199 0.0251
Echinococcus multilocularis integrin alpha 3 0.0113 0.0176 0.0222
Echinococcus granulosus neuroendocrine convertase 2 0.1869 0.6644 0.6644
Echinococcus granulosus membrane bound transcription factor site 1 0.0125 0.022 0.022
Brugia malayi Peptidase family M1 containing protein 0.012 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0125 0.022 0.022
Loa Loa (eye worm) hypothetical protein 0.278 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0567 0.1848 0.3207
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0567 0.1848 0.3207
Loa Loa (eye worm) hypothetical protein 0.0112 0.017 0.017
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0719 0.2405 0.4175
Trichomonas vaginalis conserved hypothetical protein 0.0125 0.022 0.0381
Trichomonas vaginalis conserved hypothetical protein 0.0567 0.1848 0.3207
Brugia malayi proprotein convertase 2 0.1869 0.6644 0.6644
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0125 0.022 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0719 0.2405 0.4175
Loa Loa (eye worm) hypothetical protein 0.0084 0.0069 0.0069
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0125 0.022 0.5
Trypanosoma brucei subtilisin peptidase 0.0125 0.022 0.5
Schistosoma mansoni integrin beta subunit 0.0932 0.3193 0.3193
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0125 0.022 0.5
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0125 0.022 0.5
Echinococcus granulosus integrin beta 2 0.1176 0.4091 0.4091
Toxoplasma gondii subtilisin SUB12 0.0141 0.0276 1
Echinococcus granulosus aminopeptidase N 0.012 0.0199 0.0199
Loa Loa (eye worm) peptidase family M1 containing protein 0.0097 0.0115 0.0115
Schistosoma mansoni tyrosine kinase 0.0136 0.026 0.026
Echinococcus multilocularis integrin alpha ps 0.0066 0.0002 0.0003
Giardia lamblia High cysteine membrane protein Group 2 0.0937 0.321 1
Schistosoma mansoni integrin alpha-ps 0.0066 0.0002 0.0002
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0125 0.022 0.5
Echinococcus multilocularis membrane bound transcription factor site 1 0.0125 0.022 0.0278
Onchocerca volvulus 0.0125 0.022 1
Echinococcus multilocularis Furin 1 0.0719 0.2405 0.3041
Trichomonas vaginalis conserved hypothetical protein 0.0567 0.1848 0.3207
Echinococcus granulosus Furin 1 0.0719 0.2405 0.2405
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Schistosoma mansoni retinoblastoma binding protein 0.007 0.0016 0.0016
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Loa Loa (eye worm) integrin beta-2 0.1591 0.5622 0.5622
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Echinococcus granulosus integrin alpha 3 0.0113 0.0176 0.0176
Trichomonas vaginalis conserved hypothetical protein 0.0567 0.1848 0.3207
Loa Loa (eye worm) hypothetical protein 0.007 0.0016 0.0016
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0125 0.022 0.5
Echinococcus multilocularis integrin beta 2 0.1176 0.4091 0.5172
Brugia malayi Hypothetical WD-repeat protein F21H12.1 in chromosome II 0.007 0.0016 0.0016
Trichomonas vaginalis hypothetical protein 0.0567 0.1848 0.3207
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0151 0.0315 0.0315
Schistosoma mansoni furin-1 (S08 family) 0.1275 0.4458 0.4458
Echinococcus multilocularis neuroendocrine convertase 2 0.1869 0.6644 0.8399
Brugia malayi Kelch motif family protein 0.0244 0.0655 0.0655
Brugia malayi Subtilase family protein 0.0125 0.022 0.022
Echinococcus granulosus integrin alpha ps 0.0066 0.0002 0.0002
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0719 0.2405 0.2405
Echinococcus granulosus wd40 repeat 0.007 0.0016 0.0016
Plasmodium vivax subtilisin-like serine protease, putative 0.0125 0.022 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0567 0.1848 0.3207
Loa Loa (eye worm) hypothetical protein 0.0244 0.0655 0.0655
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1629 0.5762 1
Loa Loa (eye worm) subtilase 0.0125 0.022 0.022
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0016 0.0027
Trichomonas vaginalis conserved hypothetical protein 0.0567 0.1848 0.3207
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Brugia malayi neuroendocrine convertase 1 precursor 0.2033 0.7249 0.7249
Trichomonas vaginalis conserved hypothetical protein 0.0125 0.022 0.0381
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0125 0.022 0.022
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0125 0.022 0.5
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0125 0.022 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Schistosoma mansoni hypothetical protein 0.0567 0.1848 0.1848
Loa Loa (eye worm) proprotein convertase 2 0.0719 0.2405 0.2405
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Loa Loa (eye worm) endoprotease bli-4 0.278 1 1
Brugia malayi hypothetical protein 0.0244 0.0655 0.0655
Trichomonas vaginalis conserved hypothetical protein 0.0125 0.022 0.0381
Loa Loa (eye worm) integrin alpha pat-2 0.0228 0.0599 0.0599
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.1629 0.5762 0.5762
Trichomonas vaginalis conserved hypothetical protein 0.0567 0.1848 0.3207
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0125 0.022 0.0278
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Mycobacterium leprae Possible secreted protease 0.0125 0.022 0.5
Echinococcus granulosus epidermal growth factor receptor 0.0136 0.026 0.026
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0125 0.022 0.5
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0125 0.022 0.022
Loa Loa (eye worm) hypothetical protein 0.0116 0.0186 0.0186
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0125 0.022 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0125 0.022 0.0381
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Loa Loa (eye worm) hypothetical protein 0.0107 0.0153 0.0153
Brugia malayi Integrin beta pat-3 precursor 0.1591 0.5622 0.5622
Trichomonas vaginalis conserved hypothetical protein 0.0567 0.1848 0.3207
Plasmodium falciparum subtilisin-like protease 1 0.0125 0.022 0.5
Loa Loa (eye worm) hypothetical protein 0.1176 0.4092 0.4092
Leishmania major subtilisin-like serine peptidase 0.0125 0.022 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Brugia malayi Integrin alpha pat-2 precursor 0.0148 0.0303 0.0303
Loa Loa (eye worm) hypothetical protein 0.019 0.046 0.046
Echinococcus granulosus furin 0.278 1 1
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0593 0.1944 0.3373
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.1629 0.5762 0.7284
Loa Loa (eye worm) hypothetical protein 0.0082 0.0059 0.0059
Brugia malayi Furin-like cysteine rich region family protein 0.0136 0.026 0.026
Trichomonas vaginalis conserved hypothetical protein 0.0567 0.1848 0.3207
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0244 0.0655 0.0655
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381
Brugia malayi celfurPC protein 0.2212 0.791 0.791
Trichomonas vaginalis conserved hypothetical protein 0.0125 0.022 0.0381
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0125 0.022 0.022
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0125 0.022 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0719 0.2405 0.4175
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0719 0.2405 0.4175
Loa Loa (eye worm) TK/EGFR protein kinase 0.0136 0.026 0.026
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0125 0.022 0.022
Plasmodium vivax subtilisin-like protease 1 0.0125 0.022 0.5
Plasmodium vivax subtilisin-like protease 2, putative 0.0125 0.022 0.5
Echinococcus multilocularis epidermal growth factor receptor 0.0136 0.026 0.0329
Schistosoma mansoni site-1 peptidase (S08 family) 0.0125 0.022 0.022
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0125 0.022 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0567 0.1848 0.3207
Trichomonas vaginalis retinoblastoma binding protein, putative 0.007 0.0016 0.0027
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0151 0.0315 0.0547
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1629 0.5762 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0719 0.2405 0.4175
Trypanosoma cruzi subtilisin peptidase 0.0125 0.022 0.5
Plasmodium falciparum subtilisin-like protease 2 0.0125 0.022 0.5
Echinococcus multilocularis integrin alpha ps 0.0066 0.0002 0.0003
Plasmodium falciparum subtilisin-like protease 3 0.0125 0.022 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0125 0.022 0.0381

Activities

No activities found for this compound.

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

No literature references available for this target.

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