Detailed information for compound 994799

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 529.454 | Formula: C25H25FN3O7P
  • H donors: 3 H acceptors: 5 LogP: 3.01 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOP(=O)(/C=C/c1cc(OC)c(c(c1)c1cc(/C=N/NC(=O)c2ccncc2)cc(c1O)OC)O)F
  • InChi: 1S/C25H25FN3O7P/c1-4-36-37(26,33)10-7-16-11-19(23(30)21(13-16)34-2)20-12-17(14-22(35-3)24(20)31)15-28-29-25(32)18-5-8-27-9-6-18/h5-15,30-31H,4H2,1-3H3,(H,29,32)/b10-7+,28-15+
  • InChiKey: KYYNIRXCWOFUMS-SUPJHKBISA-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
Brugia malayi beta-lactamase 0.0028 0.0488 0.0335
Loa Loa (eye worm) hypothetical protein 0.0278 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0278 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0278 1 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0131 0.441 0.432
Brugia malayi nuclear hormone receptor family member nhr-6 0.0131 0.441 0.432
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0147 0.5009 0.5009
Brugia malayi hypothetical protein 0.0147 0.5009 0.4928
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0278 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0278 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0434 0.0404
Brugia malayi nuclear hormone receptor 0.0131 0.441 0.432
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0278 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0027 0.0431 0.0277
Brugia malayi photoreceptor-specific nuclear receptor 0.0278 1 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0028 0.0488 0.0092
Loa Loa (eye worm) CYP4Cod1 0.0093 0.295 0.2927
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0488 0.0213
Schistosoma mansoni nuclear receptor 0.0131 0.441 0.441
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0278 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0093 0.295 0.2927
Brugia malayi Bromodomain containing protein 0.0058 0.1646 0.1512
Loa Loa (eye worm) hypothetical protein 0.0131 0.441 0.4392
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0278 1 1
Mycobacterium tuberculosis Probable lipase LipE 0.0028 0.0488 0.0092
Echinococcus multilocularis FTZ F1 alpha 0.0278 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0131 0.441 0.4123
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0039 0.0887 0.0887
Brugia malayi nuclear hormone receptor 0.0278 1 1
Brugia malayi ecdysone receptor 0.0131 0.441 0.432
Loa Loa (eye worm) hypothetical protein 0.0033 0.0685 0.0656
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0131 0.441 0.4392
Brugia malayi Bromodomain containing protein 0.003 0.0556 0.0404
Mycobacterium ulcerans esterase/lipase LipP 0.0028 0.0488 0.0213
Loa Loa (eye worm) nuclear hormone receptor 0.0131 0.441 0.4392
Loa Loa (eye worm) cytochrome P450 family protein 0.0093 0.295 0.2927
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0131 0.441 0.441
Loa Loa (eye worm) hypothetical protein 0.0147 0.5009 0.4993
Schistosoma mansoni hypothetical protein 0.0027 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.0131 0.441 0.4392
Brugia malayi Cytochrome P450 family protein 0.0093 0.295 0.2836
Loa Loa (eye worm) hypothetical protein 0.0131 0.441 0.4392
Brugia malayi nuclear receptor RXR 0.0147 0.5009 0.4928
Brugia malayi beta-lactamase family protein 0.0028 0.0488 0.0335
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0278 1 1
Loa Loa (eye worm) hypothetical protein 0.0278 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0628 0.0599
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0131 0.441 0.441
Echinococcus granulosus Nuclear hormone receptor HR96 0.0131 0.441 0.441
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0278 1 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.5009 0.4993
Brugia malayi Nuclear hormone receptor E75 0.0131 0.441 0.432
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0278 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0431 0.0401
Echinococcus granulosus FTZ F1 alpha 0.0278 1 1
Loa Loa (eye worm) cytochrome P450 0.0027 0.0434 0.0404
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0278 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0028 0.0486 0.0486
Loa Loa (eye worm) hypothetical protein 0.0028 0.0488 0.0458
Brugia malayi nuclear receptor NHR-67 0.0131 0.441 0.432
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0278 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0093 0.295 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0039 0.0899 0.0753
Onchocerca volvulus Bile acid receptor homolog 0.0278 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0278 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0278 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0899 0.087
Loa Loa (eye worm) hypothetical protein 0.0028 0.0488 0.0458
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0278 1 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.441 0.4392
Loa Loa (eye worm) hypothetical protein 0.0147 0.5009 0.4993
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0278 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0093 0.295 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0278 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0028 0.0488 0.0488
Loa Loa (eye worm) beta-lactamase 0.0028 0.0488 0.0458
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0131 0.441 0.441
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0028 0.0488 0.0092
Loa Loa (eye worm) hypothetical protein 0.0278 1 1
Brugia malayi nuclear receptor RXR 0.0131 0.441 0.432
Echinococcus granulosus nuclear receptor nhr 48 0.0131 0.441 0.441
Loa Loa (eye worm) hypothetical protein 0.0066 0.1934 0.1908
Onchocerca volvulus 0.0278 1 1
Schistosoma mansoni hypothetical protein 0.0027 0.0434 0.0434
Brugia malayi cytochrome P450 0.0027 0.0434 0.028
Loa Loa (eye worm) hypothetical protein 0.0028 0.0488 0.0458
Loa Loa (eye worm) hypothetical protein 0.0131 0.441 0.4392
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0278 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0488 0.0458
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0039 0.0887 0.0887
Schistosoma mansoni thyroid hormone receptor 0.0278 1 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0018 0.0088 0.0088
Schistosoma mansoni RAR-like nuclear receptor 0.0278 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0278 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0278 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0278 1 1
Mycobacterium ulcerans lipase LipD 0.0028 0.0488 0.0213
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0028 0.0488 0.0092
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0147 0.5009 0.4993
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0278 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0278 1 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.441 0.4392
Brugia malayi Nuclear hormone receptor-like 1 0.0147 0.5009 0.4928
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0131 0.441 0.441
Brugia malayi beta-lactamase family protein 0.0028 0.0488 0.0335
Loa Loa (eye worm) hypothetical protein 0.0278 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0131 0.441 0.441
Loa Loa (eye worm) hypothetical protein 0.0055 0.1519 0.1492
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0131 0.441 0.441
Schistosoma mansoni coup transcription factor 0.0278 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0558 0.0528
Echinococcus multilocularis 0.0027 0.0434 0.0434
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0179 0.625 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.441 0.4392
Loa Loa (eye worm) nuclear receptor NHR-67 0.0131 0.441 0.4392
Mycobacterium ulcerans beta-lactamase 0.0028 0.0488 0.0213
Mycobacterium tuberculosis Conserved protein 0.0028 0.0488 0.0092
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0278 1 1
Schistosoma mansoni zinc finger protein 0.0131 0.441 0.441
Brugia malayi hypothetical protein 0.0131 0.441 0.432
Schistosoma mansoni nuclear receptor nhr-48 0.0131 0.441 0.441
Mycobacterium leprae conserved hypothetical protein 0.0028 0.0488 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0278 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0278 1 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.5009 0.4993
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0131 0.441 0.441
Schistosoma mansoni hypothetical protein 0.0016 0.0031 0.0031
Mycobacterium tuberculosis Conserved protein 0.0028 0.0488 0.0092
Loa Loa (eye worm) DR-78 0.0131 0.441 0.4392
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.079 1
Brugia malayi Cytochrome P450 family protein 0.0093 0.295 0.2836
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0028 0.0488 0.0458
Echinococcus granulosus cytochrome P450 2K1 0.0027 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0131 0.441 0.4392
Onchocerca volvulus 0.0131 0.441 0.4123
Schistosoma mansoni thyroid hormone receptor 0.0278 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0131 0.441 0.441
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0047 0.1192 0.1192
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0028 0.0488 0.0488
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0278 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0.0488 0.0213
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0278 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0278 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0131 0.441 0.432
Echinococcus granulosus beta LACTamase domain containing family member 0.0028 0.0488 0.0488
Brugia malayi Nuclear hormone receptor E75 0.0131 0.441 0.432
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0018 0.0088 0.0088
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0278 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0278 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0131 0.441 0.441
Echinococcus multilocularis thyroid hormone receptor alpha 0.0278 1 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0028 0.0488 0.0488
Echinococcus granulosus fetal alzheimer antigen falz 0.0018 0.0088 0.0088
Schistosoma mansoni nuclear receptor 0.0131 0.441 0.441
Loa Loa (eye worm) hypothetical protein 0.0131 0.441 0.4392
Schistosoma mansoni nuclear hormone receptor 0.0131 0.441 0.441
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0131 0.441 0.4123
Leishmania major cytochrome p450-like protein 0.0093 0.295 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0278 1 1
Mycobacterium tuberculosis Conserved protein 0.0028 0.0488 0.0092
Brugia malayi Cytochrome P450 family protein 0.0027 0.0434 0.028
Brugia malayi steroid hormone receptor 0.0278 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0147 0.5009 0.5009
Brugia malayi hypothetical protein 0.0147 0.5009 0.4928
Echinococcus granulosus thyroid hormone receptor alpha 0.0131 0.441 0.441
Mycobacterium tuberculosis Probable lipase LipD 0.0028 0.0488 0.0092
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0278 1 1
Mycobacterium leprae Probable lipase LipE 0.0028 0.0488 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0278 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0028 0.0488 0.0335
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0047 0.1192 0.1192
Schistosoma mansoni cytochrome P450 0.0027 0.0434 0.0434
Schistosoma mansoni nuclear hormone receptor 0.0278 1 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0028 0.0488 0.0213
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0278 1 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.441 0.4392
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.1022 0.1022
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0.0488 0.0213
Loa Loa (eye worm) hypothetical protein 0.0147 0.5009 0.4993
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0278 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0278 1 1
Trypanosoma brucei cytochrome P450, putative 0.0093 0.295 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0039 0.0887 0.074
Leishmania major hypothetical protein, conserved 0.0028 0.0488 0.0213
Mycobacterium tuberculosis Probable hydrolase 0.0028 0.0488 0.0092
Brugia malayi Steroid receptor seven-up type 2 0.0278 1 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.441 0.4392
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0131 0.441 0.441
Brugia malayi conserved hypotetical protein 0.0131 0.441 0.432
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0039 0.0887 0.0858
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0278 1 1
Schistosoma mansoni nuclear hormone receptor 0.0131 0.441 0.441
Brugia malayi nuclear receptor NHR-88 0.0278 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0147 0.5009 0.5009
Brugia malayi Nuclear hormone receptor-like 1 0.0147 0.5009 0.4928
Schistosoma mansoni retinoic acid receptor RXR 0.0278 1 1
Brugia malayi tailless protein 0.0131 0.441 0.432
Loa Loa (eye worm) hypothetical protein 0.0131 0.441 0.4392
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0093 0.295 1
Brugia malayi orphan nuclear receptor NR2E1 0.0131 0.441 0.432
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0278 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0278 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0278 1 1
Onchocerca volvulus 0.0131 0.441 0.4123
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0278 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0278 1 1
Loa Loa (eye worm) hypothetical protein 0.0278 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0488 0.0458
Brugia malayi Cytochrome P450 family protein 0.0027 0.0434 0.028
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0131 0.441 0.441
Loa Loa (eye worm) hypothetical protein 0.0028 0.0488 0.0458
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0147 0.5009 0.5009
Toxoplasma gondii ABC1 family protein 0.0028 0.0488 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.441 0.4392
Brugia malayi nuclear receptor NHR-88 0.0131 0.441 0.432
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0278 1 1
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0488 0.5
Schistosoma mansoni bromodomain containing protein 0.0049 0.1298 0.1298
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0278 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.079 1
Loa Loa (eye worm) hypothetical protein 0.0278 1 1
Brugia malayi hypothetical protein 0.0131 0.441 0.432
Loa Loa (eye worm) hypothetical protein 0.0033 0.0693 0.0664
Brugia malayi Nuclear hormone receptor-like 1 0.0278 1 1
Mycobacterium tuberculosis Probable esterase LipL 0.0028 0.0488 0.0092
Loa Loa (eye worm) hypothetical protein 0.0278 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0028 0.0486 0.0486
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0039 0.0899 0.087
Loa Loa (eye worm) steroid hormone receptor 0.0278 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0039 0.0899 0.0753
Mycobacterium ulcerans hypothetical protein 0.0028 0.0488 0.0213

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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