Detailed information for compound 1026193

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 366.347 | Formula: C21H19O4P
  • H donors: 1 H acceptors: 3 LogP: 3.47 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1)CP(=O)(OCc1ccc(cc1)c1ccccc1)O
  • InChi: 1S/C21H19O4P/c22-21(20-9-5-2-6-10-20)16-26(23,24)25-15-17-11-13-19(14-12-17)18-7-3-1-4-8-18/h1-14H,15-16H2,(H,23,24)
  • InChiKey: VVNSAMMAFXRBFI-UHFFFAOYSA-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
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.1491 0.1491
Schistosoma mansoni tar DNA-binding protein 0.0075 0.1618 0.1618
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0163 0.4219 0.5
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0359 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0978 0.0978
Brugia malayi PHD-finger family protein 0.0029 0.0275 0.0354
Loa Loa (eye worm) hypothetical protein 0.0048 0.0828 0.0828
Schistosoma mansoni zinc finger protein 0.0023 0.0088 0.0088
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0025 0.0134 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0953 0.2064
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0192 0.0192
Loa Loa (eye worm) hypothetical protein 0.0034 0.0396 0.0396
Brugia malayi Importin beta-1 subunit 0.0034 0.0396 0.0661
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0192 0.0192
Echinococcus multilocularis importin subunit beta 1 0.0034 0.0396 0.0396
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0178 0.4657 0.5
Schistosoma mansoni hypothetical protein 0.0024 0.0125 0.0125
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0978 0.0978
Schistosoma mansoni hypothetical protein 0.0178 0.4669 0.4669
Schistosoma mansoni tar DNA-binding protein 0.0075 0.1618 0.1618
Echinococcus granulosus importin subunit beta 1 0.0034 0.0396 0.0396
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0978 0.0978
Echinococcus granulosus zinc finger protein 0.0023 0.0088 0.0088
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0075 0.1618 0.1618
Loa Loa (eye worm) TAR-binding protein 0.0075 0.1618 0.1618
Loa Loa (eye worm) hypothetical protein 0.0051 0.0895 0.0895
Echinococcus granulosus GTP binding nuclear protein Ran 0.0025 0.0134 0.0134
Toxoplasma gondii HEAT repeat-containing protein 0.0034 0.0396 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0978 0.0978
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0021 0.0021
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.066 0.066
Schistosoma mansoni tar DNA-binding protein 0.0075 0.1618 0.1618
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0209 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0978 0.0978
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0396 1
Brugia malayi RNA recognition motif domain containing protein 0.0075 0.1618 0.3742
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0396 1
Schistosoma mansoni bromodomain containing protein 0.0075 0.1616 0.1616
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0178 0.4657 0.5
Schistosoma mansoni tar DNA-binding protein 0.0075 0.1618 0.1618
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.1491 0.1491
Echinococcus multilocularis geminin 0.0178 0.4669 0.4669
Echinococcus multilocularis snurportin 1 0.0359 1 1
Echinococcus multilocularis tar DNA binding protein 0.0075 0.1618 0.1618
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0025 0.0134 0.0134
Loa Loa (eye worm) hypothetical protein 0.0045 0.0745 0.0745
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.066 0.066
Loa Loa (eye worm) hypothetical protein 0.0178 0.4657 0.4657
Schistosoma mansoni hypothetical protein 0.0178 0.4669 0.4669
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0953 0.0953
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0978 0.0978
Brugia malayi hypothetical protein 0.0159 0.4099 1
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0125 0.0125
Schistosoma mansoni ran 0.0025 0.0134 0.0134
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0978 0.2129
Brugia malayi Bromodomain containing protein 0.0045 0.0743 0.1534
Loa Loa (eye worm) hypothetical protein 0.0052 0.0953 0.0953
Schistosoma mansoni importin beta-1 0.0034 0.0396 0.0396
Loa Loa (eye worm) hypothetical protein 0.0036 0.0463 0.0463
Echinococcus multilocularis zinc finger protein 0.0023 0.0088 0.0088
Schistosoma mansoni ran 0.0025 0.0134 0.0134
Schistosoma mansoni tar DNA-binding protein 0.0075 0.1618 0.1618
Schistosoma mansoni hypothetical protein 0.0036 0.0463 0.0463
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0463 0.0828
Loa Loa (eye worm) hypothetical protein 0.0159 0.4099 0.4099
Plasmodium vivax importin-beta 2, putative 0.0034 0.0396 1
Plasmodium falciparum importin beta, putative 0.0034 0.0396 1
Brugia malayi RNA, U transporter 1 0.0096 0.2226 0.5277
Echinococcus granulosus geminin 0.0178 0.4669 0.4669
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0953 0.2064
Leishmania major importin beta-1 subunit, putative 0.0027 0.0209 1
Echinococcus granulosus tar DNA binding protein 0.0075 0.1618 0.1618
Loa Loa (eye worm) hypothetical protein 0.0084 0.1876 0.1876
Brugia malayi Bromodomain containing protein 0.0089 0.2025 0.477
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0025 0.0134 0.0134
Onchocerca volvulus 0.0159 0.4099 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0978 0.0978
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0209 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0209 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0978 0.0978
Brugia malayi RNA binding protein 0.0075 0.1618 0.3742
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0192 0.0192
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0209 1
Loa Loa (eye worm) RNA binding protein 0.0075 0.1618 0.1618
Brugia malayi TAR-binding protein 0.0075 0.1618 0.3742
Entamoeba histolytica hypothetical protein 0.0027 0.0209 1
Schistosoma mansoni d-amino acid oxidase 0.0178 0.4657 0.4657
Schistosoma mansoni hypothetical protein 0.0359 1 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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