Detailed information for compound 1256808

Basic information

Technical information
  • TDR Targets ID: 1256808
  • Name: (1R)-3-methyl-1-phenyl-1$l^{5}-phosphacyclope nt-2-ene 1-oxide
  • MW: 192.194 | Formula: C11H13OP
  • H donors: 0 H acceptors: 1 LogP: 1.32 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1=CP(=O)(CC1)c1ccccc1
  • InChi: 1S/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
  • InChiKey: YMKWWHFRGALXLE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-methyl-1-phenyl-1$l^{5}-phosphacyclopent-2-ene 1-oxide
  • (1S)-3-methyl-1-phenyl-1$l^{5}-phosphacyclopent-2-ene 1-oxide
  • 707-61-9
  • 90408-79-0
  • 2,3-Dihydro-4-methyl-1-phenyl-1H-phosphole, 1-oxide
  • 2-Phospholene, 3-methyl-1-phenyl-, 1-oxide
  • 3-Methyl-1-phenyl-2-phospholene 1-oxide
  • BRN 0609223
  • EINECS 211-901-5
  • NSC 107634
  • ST5405846
  • ZINC00161711
  • ZINC00161713
  • 191744_ALDRICH
  • InChI=1/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H
  • 3-Methyl-1-phenyl-2-phospholene-1-oxide
  • 4-Methyl-1-phenyl-2,3-dihydro-1H-phosphole 1-oxide
  • AIDS-160288
  • AIDS160288
  • NSC107634
  • NSC616243
  • 1H-Phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxide
  • 2,3-Dihydro-4-methyl-1-phenyl-1H-phosphole 1-oxide

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
Schistosoma mansoni inositol monophosphatase 0.0037 0.1031 0.1442
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0447 0.4338
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0931 0.1205
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1398 0.1866
Brugia malayi Bromodomain containing protein 0.0072 0.2694 0.3061
Brugia malayi TAR-binding protein 0.0063 0.2241 0.2537
Brugia malayi Bromodomain containing protein 0.0037 0.1038 0.1148
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0327 0.035
Loa Loa (eye worm) RNA binding protein 0.0063 0.2241 0.2483
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0447 1
Loa Loa (eye worm) inositol-1 0.0037 0.1031 0.1075
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0327 0.035
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.205 1
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0447 0.4338
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.205 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0158 0.1536
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.085 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0158 0.1536
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2241 0.3134
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0158 0.0132
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0045 0.1426 0.1995
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0447 0.5794
Loa Loa (eye worm) hypothetical protein 0.0068 0.2501 0.2786
Loa Loa (eye worm) hypothetical protein 0.0041 0.1234 0.1312
Echinococcus granulosus tar DNA binding protein 0.0063 0.2241 0.3057
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1398 0.1564
Echinococcus granulosus zinc finger protein 0.0019 0.0193 0.0161
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1398 0.1956
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.085 0.3659
Brugia malayi RNA binding protein 0.0063 0.2241 0.2537
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2241 0.3134
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.205 0.2867
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.8702 1
Schistosoma mansoni bromodomain containing protein 0.0061 0.2165 0.3028
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.1031 0.4613
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1398 0.1956
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1031 0.5029
Echinococcus multilocularis zinc finger protein 0.0019 0.0193 0.0161
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1031 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.1426 0.1535
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0079 0.0111
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.2004 0.2722
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0158 0.1536
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.2241 0.2483
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.205 0.2787
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1398 0.1866
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0931 0.1205
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.2241 0.2537
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.1031 0.1346
Loa Loa (eye worm) hypothetical protein 0.0039 0.1148 0.1211
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0657 0.0918
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0158 0.5
Brugia malayi Inositol-1 0.0037 0.1031 0.114
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0158 0.0112
Brugia malayi PHD-finger family protein 0.0024 0.0434 0.045
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.1031 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0657 0.0918
Schistosoma mansoni zinc finger protein 0.0019 0.0193 0.027
Echinococcus multilocularis geminin 0.0168 0.7151 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.1031 0.0887
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1031 1
Trichomonas vaginalis set domain proteins, putative 0.0229 1 1
Echinococcus multilocularis tar DNA binding protein 0.0063 0.2241 0.3057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1398 0.1956
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0657 0.2635
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0241 0.0156
Leishmania major hypothetical protein, conserved 0.0024 0.0447 0.2181
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.1031 0.0887
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.205 1
Schistosoma mansoni inositol monophosphatase 0.0037 0.1031 0.1442
Echinococcus granulosus geminin 0.0168 0.7151 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1398 0.1503
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0079 0.0111
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0158 0.0112
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2241 0.3134
Echinococcus granulosus histone lysine methyltransferase setb 0.0045 0.1426 0.1905
Schistosoma mansoni ap endonuclease 0.0018 0.0158 0.0221
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0045 0.1426 0.1905
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.1031 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0447 0.0396
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0447 0.1527
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.2004 0.2722
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0045 0.1426 0.1995
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0447 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0158 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0158 0.006
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0327 0.0457
Loa Loa (eye worm) TAR-binding protein 0.0063 0.2241 0.2483
Brugia malayi Pre-SET motif family protein 0.0201 0.8702 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.205 1
Plasmodium vivax SET domain protein, putative 0.0029 0.0657 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.205 0.2787
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1398 0.1866
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1031 1
Schistosoma mansoni hypothetical protein 0.0168 0.7151 1
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.1031 0.1346
Schistosoma mansoni hypothetical protein 0.002 0.0241 0.0337
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.1031 0.4613
Loa Loa (eye worm) hypothetical protein 0.0037 0.1041 0.1087
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1398 0.1866
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0657 0.0817
Brugia malayi hypothetical protein 0.0024 0.0447 0.0466
Schistosoma mansoni hypothetical protein 0.0168 0.7151 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.205 0.2867
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2241 0.3134
Brugia malayi Pre-SET motif family protein 0.0029 0.0657 0.0708
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2241 0.3134
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.205 1
Schistosoma mansoni ap endonuclease 0.0018 0.0158 0.0221
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.1031 0.0887
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0447 0.4338
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0158 0.0772
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0607 0.0747
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.205 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 900 uM Cytotoxicity against human U937 cells after 48 hrs by MTT assat ChEMBL. 20801031

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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