Detailed information for compound 1011231

Basic information

Technical information
  • TDR Targets ID: 1011231
  • Name: [4-chloro-3-[5-methyl-3-[[4-(2-pyrrolidin-1-y lethoxy)phenyl]amino]-1,2,4-benzotriazin-7-yl ]phenyl] dihydrogen phosphate
  • MW: 555.95 | Formula: C26H27ClN5O5P
  • H donors: 3 H acceptors: 6 LogP: 1.67 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(cc1c1cc(C)c2c(c1)nnc(n2)Nc1ccc(cc1)OCCN1CCCC1)OP(=O)(O)O
  • InChi: 1S/C26H27ClN5O5P/c1-17-14-18(22-16-21(8-9-23(22)27)37-38(33,34)35)15-24-25(17)29-26(31-30-24)28-19-4-6-20(7-5-19)36-13-12-32-10-2-3-11-32/h4-9,14-16H,2-3,10-13H2,1H3,(H,28,29,31)(H2,33,34,35)
  • InChiKey: FOBCSLQFBLWNEU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [4-chloro-3-[5-methyl-3-[[4-(2-1-pyrrolidinylethoxy)phenyl]amino]-1,2,4-benzotriazin-7-yl]phenyl] dihydrogen phosphate

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
Onchocerca volvulus 0.0038 0.1077 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0863 0.1196
Schistosoma mansoni hypothetical protein 0.0181 0.7214 1
Echinococcus granulosus lamin dm0 0.0028 0.062 0.086
Mycobacterium ulcerans hypothetical protein 0.0038 0.1077 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0148 0.5806 0.8048
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.1077 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.1077 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.1077 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.1077 0.5
Onchocerca volvulus 0.0038 0.1077 1
Schistosoma mansoni hypothetical protein 0.0033 0.0863 0.0368
Trichomonas vaginalis esterase, putative 0.0038 0.1077 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0863 0.1196
Loa Loa (eye worm) hypothetical protein 0.0028 0.062 0.156
Brugia malayi beta-lactamase 0.0038 0.1077 0.2589
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0064 0.016
Mycobacterium leprae Probable lipase LipE 0.0038 0.1077 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.3978 1
Onchocerca volvulus 0.0038 0.1077 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1077 0.2708
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.1077 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.2536 0.6376
Toxoplasma gondii ABC1 family protein 0.0038 0.1077 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.1077 0.2708
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0137 0.5331 0.739
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.2536 0.6317
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0863 0.217
Plasmodium vivax hypothetical protein, conserved 0.0038 0.1077 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.1077 0.2708
Echinococcus multilocularis GPCR, family 2 0.0033 0.0863 0.1196
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.1077 0.5
Schistosoma mansoni thyroid hormone receptor 0.0148 0.5806 0.7864
Echinococcus multilocularis geminin 0.0181 0.7214 1
Brugia malayi beta-lactamase family protein 0.0038 0.1077 0.2589
Echinococcus granulosus geminin 0.0181 0.7214 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.1077 0.0693
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.062 0.156
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0863 0.2042
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.1077 0.2708
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.3978 1
Mycobacterium ulcerans beta-lactamase 0.0038 0.1077 0.5
Schistosoma mansoni thyroid hormone receptor 0.0148 0.5806 0.7864
Leishmania major hypothetical protein, conserved 0.0038 0.1077 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.1077 0.0693
Loa Loa (eye worm) hypothetical protein 0.0027 0.0598 0.1504
Schistosoma mansoni hypothetical protein 0.0033 0.0863 0.0368
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.1077 0.1493
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.1077 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.3978 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1077 0.2708
Schistosoma mansoni hypothetical protein 0.0033 0.0863 0.0368
Brugia malayi beta-lactamase family protein 0.0038 0.1077 0.2589
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.1077 0.1493
Echinococcus granulosus GPCR family 2 0.0033 0.0863 0.1196
Loa Loa (eye worm) hypothetical protein 0.0106 0.3978 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1077 0.2708
Mycobacterium ulcerans lipase LipD 0.0038 0.1077 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0863 0.0368
Loa Loa (eye worm) hypothetical protein 0.0033 0.0863 0.217
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.1077 0.2589
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0863 0.1196
Mycobacterium leprae conserved hypothetical protein 0.0038 0.1077 0.5
Schistosoma mansoni hypothetical protein 0.0137 0.5331 0.7144
Schistosoma mansoni hypothetical protein 0.0072 0.2536 0.2906
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.1077 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0863 0.1196
Echinococcus multilocularis musashi 0.0028 0.062 0.086
Echinococcus multilocularis lamin 0.0028 0.062 0.086
Echinococcus multilocularis lamin dm0 0.0028 0.062 0.086
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.1077 0.5
Schistosoma mansoni hypothetical protein 0.0181 0.7214 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0863 0.2042
Brugia malayi intermediate filament protein 0.0028 0.062 0.1422
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0137 0.5331 0.739
Echinococcus granulosus intermediate filament protein 0.0028 0.062 0.086
Loa Loa (eye worm) hypothetical protein 0.0038 0.1077 0.2708
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.062 0.1422
Loa Loa (eye worm) intermediate filament protein 0.0028 0.062 0.156
Loa Loa (eye worm) beta-lactamase 0.0038 0.1077 0.2708
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.1077 0.5
Echinococcus granulosus lamin 0.0028 0.062 0.086

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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