Detailed information for compound 1565904

Basic information

Technical information
  • TDR Targets ID: 1565904
  • Name: 3-[(1R)-1-[[(2S)-3-[5-[(4-azido-2-hydroxy-5-i odobenzoyl)amino]pentyl-hydroxyphosphoryl]-2- hydroxypropyl]amino]ethyl]benzoic acid
  • MW: 659.41 | Formula: C24H31IN5O7P
  • H donors: 6 H acceptors: 7 LogP: 0.81 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 3
  • SMILES: [N-]=[N+]=Nc1cc(O)c(cc1I)C(=O)NCCCCCP(=O)(C[C@H](CN[C@@H](c1cccc(c1)C(=O)O)C)O)O
  • InChi: 1S/C24H31IN5O7P/c1-15(16-6-5-7-17(10-16)24(34)35)28-13-18(31)14-38(36,37)9-4-2-3-8-27-23(33)19-11-20(25)21(29-30-26)12-22(19)32/h5-7,10-12,15,18,28,31-32H,2-4,8-9,13-14H2,1H3,(H,27,33)(H,34,35)(H,36,37)/t15-,18+/m1/s1
  • InChiKey: IHFUJPDKHJTHGQ-QAPCUYQASA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(1R)-1-[[(2S)-3-[5-[(4-azido-2-hydroxy-5-iodo-benzoyl)amino]pentyl-hydroxy-phosphoryl]-2-hydroxy-propyl]amino]ethyl]benzoic acid
  • 3-[(1R)-1-[[(2S)-3-[5-[[(4-azido-2-hydroxy-5-iodophenyl)-oxomethyl]amino]pentyl-hydroxyphosphoryl]-2-hydroxypropyl]amino]ethyl]benzoic acid
  • 3-[(1R)-1-[[(2S)-3-[5-[(4-azido-2-hydroxy-5-iodo-phenyl)carbonylamino]pentyl-hydroxy-phosphoryl]-2-hydroxy-propyl]amino]ethyl]benzoic acid
  • CGP 71872

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 metabotropic glutamate receptor 0.0021 0.0057 0.0247
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0078 0.0484 0.0484
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0086 0.0542 1
Schistosoma mansoni dihydropteridine reductase 0.0078 0.0484 0.2085
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.1151 0.8506 1
Loa Loa (eye worm) retinol dehydrogenase 12 0.0078 0.0484 0.2085
Trichomonas vaginalis hypothetical protein 0.1151 0.8506 0.5
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.1151 0.8506 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0021 0.0057 0.0057
Plasmodium falciparum enoyl-acyl carrier reductase 0.1151 0.8506 1
Echinococcus granulosus dual specificity protein phosphatase 0.0324 0.2321 0.2321
Schistosoma mansoni apoptosis regulator bax 0.0108 0.0707 0.3048
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0577 0.4214 0.4649
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0078 0.0484 0.2085
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0108 0.0707 0.3048
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.1151 0.8506 1
Schistosoma mansoni hypothetical protein 0.0108 0.0707 0.3048
Loa Loa (eye worm) oxidoreductase 0.0078 0.0484 0.2085
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0021 0.0057 0.0057
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0108 0.0707 0.0707
Loa Loa (eye worm) hypothetical protein 0.0108 0.0707 0.3048
Mycobacterium ulcerans short chain dehydrogenase 0.0086 0.0542 0.0072
Brugia malayi metabotropic glutamate receptor type 2 0.0021 0.0057 0.0247
Giardia lamblia Dual specificity phosphatase, catalytic 0.0324 0.2321 0.5
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0078 0.0484 0.2085
Onchocerca volvulus 0.0324 0.2321 1
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0108 0.0707 0.3048
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.1151 0.8506 1
Onchocerca volvulus 0.0078 0.0484 0.2085
Loa Loa (eye worm) hypothetical protein 0.0078 0.0484 0.2085
Loa Loa (eye worm) hypothetical protein 0.0021 0.0057 0.0247
Schistosoma mansoni hypothetical protein 0.0108 0.0707 0.3048
Loa Loa (eye worm) glutamate receptor 0.0021 0.0057 0.0247
Loa Loa (eye worm) hypothetical protein 0.0021 0.0057 0.0247
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0078 0.0484 0.5
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0301 0.2153 0.9279
Loa Loa (eye worm) apoptosis regulator protein 0.0108 0.0707 0.3048
Schistosoma mansoni hypothetical protein 0.0108 0.0707 0.3048
Trypanosoma brucei oxidoreductase-like protein 0.0086 0.0542 1
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0086 0.0542 0.0072
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0078 0.0484 0.0484
Loa Loa (eye worm) dual specificity phosphatase 0.0324 0.2321 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0086 0.0542 0.0072
Brugia malayi Dual specificity phosphatase, catalytic domain containing protein 0.0324 0.2321 1
Leishmania major oxidoreductase-like protein 0.0086 0.0542 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.1151 0.8506 1
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.1151 0.8506 1
Plasmodium vivax enoyl-acyl carrier protein reductase 0.1151 0.8506 1
Brugia malayi Receptor family ligand binding region containing protein 0.0021 0.0057 0.0247
Leishmania major pteridine reductase 1 0.0086 0.0542 1
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0309 0.2211 0.9526
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0078 0.0484 0.2085
Brugia malayi Metabotropic glutamate receptor precursor. 0.0021 0.0057 0.0247
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0021 0.0057 0.0247
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.135 1 1
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0086 0.0542 0.0072
Echinococcus multilocularis dual specificity protein phosphatase 0.0324 0.2321 0.2321
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0086 0.0542 0.0072
Schistosoma mansoni dual specificity protein phosphatase 0.0324 0.2321 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0086 0.0542 0.0072
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0078 0.0484 0.2085
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0108 0.0707 0.0707
Onchocerca volvulus 0.0086 0.0542 0.2335

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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