Detailed information for compound 574661

Basic information

Technical information
  • TDR Targets ID: 574661
  • Name: [4-[(E)-(carbamoylhydrazono)methyl]phenyl] (Z )-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy -4,4-dimethyl-oct-1-enyl]-5-oxo-cyclopentyl]h ept-5-enoate
  • MW: 541.679 | Formula: C30H43N3O6
  • H donors: 4 H acceptors: 5 LogP: 3.83 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCC([C@@H](C=C[C@H]1[C@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)Oc1ccc(cc1)C=NNC(=O)N)O)(C)C
  • InChi: 1S/C30H43N3O6/c1-4-5-18-30(2,3)27(36)17-16-24-23(25(34)19-26(24)35)10-8-6-7-9-11-28(37)39-22-14-12-21(13-15-22)20-32-33-29(31)38/h6,8,12-17,20,23-24,26-27,35-36H,4-5,7,9-11,18-19H2,1-3H3,(H3,31,33,38)/b8-6-,17-16+,32-20+/t23-,24-,26-,27-/m1/s1
  • InChiKey: PKMLAURFVOXJGV-UCVYYBDESA-N  


Substructure search Similarity search

Network

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Synonyms

  • (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid [4-[(E)-(carbamoylhydrazono)methyl]phenyl] ester
  • [4-[(E)-(aminocarbonylhydrazinylidene)methyl]phenyl] (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoate
  • (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-keto-cyclopentyl]hept-5-enoic acid [4-[(E)-semicarbazonomethyl]phenyl] ester
  • [4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl] (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
  • 16,16-dimethyprostaglandin E2 4-benzaldehyde semicarbazone ester
  • (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid [4-[(E)-(carbamoylhydrazono)methyl]phenyl] ester
  • 62845-71-0
  • (5Z,11alpha,13E,15R)-4-(((Aminocarbonyl)hydrazono)methyl)phenyl 11,15-dihydroxy-16,16-dimethyl-9-oxoprosta-5,13-dien-oate
  • Dimethyl-PGE2-pbase
  • Prosta-5,13-dien-oic acid, 11,15-dihydroxy-16,16-dimethyl-9-oxo-, 4-(((aminocarbonyl)hydrazono)methyl)phenyl ester, (5Z,11alpha,13E,15R)-

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 Niemann Pick C1 protein 0.0147 0.3904 0.71
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.0998 0.1824
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.3729 0.3643
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.4366 0.6164
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0269 0.8757 1
Loa Loa (eye worm) RNA binding protein 0.0129 0.3207 0.3662
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.8757 1
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.5467 0.1027
Schistosoma mansoni hypothetical protein 0.0073 0.0998 0.0388
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.8757 1
Echinococcus granulosus expressed conserved protein 0.0096 0.1913 0.2235
Brugia malayi hypothetical protein 0.0073 0.0998 0.114
Entamoeba histolytica hypothetical protein 0.0073 0.0998 0.4623
Loa Loa (eye worm) hypothetical protein 0.0101 0.2101 0.2399
Echinococcus granulosus geminin 0.0176 0.5091 1
Onchocerca volvulus Glucosylceramidase homolog 0.0176 0.509 1
Echinococcus multilocularis tar DNA binding protein 0.0129 0.3207 0.6237
Echinococcus multilocularis geminin 0.0176 0.5091 1
Schistosoma mansoni tar DNA-binding protein 0.0129 0.3207 0.5576
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.8757 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.7083 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0103 0.2159 1
Brugia malayi RNA recognition motif domain containing protein 0.0129 0.3207 0.3662
Loa Loa (eye worm) TAR-binding protein 0.0129 0.3207 0.3662
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.3729 0.3729
Loa Loa (eye worm) hypothetical protein 0.0069 0.0833 0.0952
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.0998 0.0388
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0 0.5
Brugia malayi TAR-binding protein 0.0129 0.3207 0.3662
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.2101 0.2399
Echinococcus multilocularis Niemann Pick C1 protein 0.0147 0.3904 0.7629
Echinococcus granulosus Niemann Pick C1 protein 0.0103 0.2159 0.2837
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.5467 0.1027
Schistosoma mansoni hypothetical protein 0.0176 0.5091 1
Schistosoma mansoni tar DNA-binding protein 0.0129 0.3207 0.5576
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0833 0.0952
Entamoeba histolytica hypothetical protein 0.0073 0.0998 0.4623
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 1 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0269 0.8757 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0103 0.2159 0.4144
Loa Loa (eye worm) hypothetical protein 0.0103 0.2159 0.2466
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0129 0.3207 0.3662
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.8757 1
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.8757 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.2101 0.2399
Echinococcus granulosus tar DNA binding protein 0.0129 0.3207 0.5397
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.8757 1
Brugia malayi RNA binding protein 0.0129 0.3207 0.3662
Echinococcus multilocularis expressed conserved protein 0.0096 0.1913 0.3651
Toxoplasma gondii hypothetical protein 0.0048 0.0015 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.0232 0.0264
Schistosoma mansoni tar DNA-binding protein 0.0129 0.3207 0.5576
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0104 0.2222 0.3263
Mycobacterium ulcerans hypothetical protein 0.0158 0.4366 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.2101 0.2399
Brugia malayi Niemann-Pick C1 protein precursor 0.0103 0.2159 0.2466
Schistosoma mansoni tar DNA-binding protein 0.0129 0.3207 0.5576
Trypanosoma brucei mitochondrial DNA polymerase beta 0.03 1 1
Schistosoma mansoni hypothetical protein 0.0176 0.5091 1
Entamoeba histolytica hypothetical protein 0.0073 0.0998 0.4623
Schistosoma mansoni tar DNA-binding protein 0.0129 0.3207 0.5576
Entamoeba histolytica hypothetical protein 0.0073 0.0998 0.4623

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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