Detailed information for compound 572128

Basic information

Technical information
  • TDR Targets ID: 572128
  • Name: methyl N-[2-[4-[2-hydroxy-3-(isopropylamino)p ropoxy]phenyl]ethyl]carbamate; sulfuric acid
  • MW: 718.856 | Formula: C32H54N4O12S
  • H donors: 8 H acceptors: 8 LogP: -0.41 Rotable bonds: 22
    Rule of 5 violations (Lipinski): 3
  • SMILES: OS(=O)(=O)O.COC(=O)NCCc1ccc(cc1)OCC(CNC(C)C)O.COC(=O)NCCc1ccc(cc1)OCC(CNC(C)C)O
  • InChi: 1S/2C16H26N2O4.H2O4S/c2*1-12(2)18-10-14(19)11-22-15-6-4-13(5-7-15)8-9-17-16(20)21-3;1-5(2,3)4/h2*4-7,12,14,18-19H,8-11H2,1-3H3,(H,17,20);(H2,1,2,3,4)
  • InChiKey: OUXGIOLQOYAZLS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]ethyl]carbamic acid methyl ester; sulfuric acid
  • methyl N-[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethyl]carbamate; sulfuric acid
  • 59110-35-9
  • Carbamic acid, (2-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)ethyl)-, methyl ester, (+-)-, sulfate (salt) (2:1)
  • H 104/08
  • Methyl (+-)-(p-(2-hydroxy-3-(isopropylamino)propoxy)phenethyl)carbamate sulfate (salt) (2:1)
  • PAMATOLOL SULFATE
  • Pamatolol sulfate [USAN]
  • H-104/08

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 sex comb on midleg homolog 0.0048 0.0367 0.104
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0342 0.0342
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1163 0.5878
Brugia malayi phosphofructokinase 0.0109 0.1163 0.6009
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0785 0.9974 1
Plasmodium falciparum phenylalanine--tRNA ligase 0.0048 0.0366 0.135
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0165 0.1889 1
Brugia malayi mbt repeat family protein 0.0048 0.0367 0.1634
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0039 0.011
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0039 0.0067
Schistosoma mansoni bromodomain containing protein 0.0063 0.057 0.1616
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.1163 0.5878
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0165 0.1889 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0342 0.0342
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0524 0.0524
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0453 0.0453
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0165 0.1889 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0342 0.1747
Brugia malayi mbt repeat family protein 0.0048 0.0367 0.1634
Brugia malayi 6-phosphofructokinase 0.0109 0.1163 0.6009
Echinococcus granulosus 6 phosphofructokinase 0.0109 0.1163 0.2012
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0048 0.0366 0.1876
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0524 0.0906
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0342 0.0968
Echinococcus multilocularis neuropeptide receptor A26 0.0463 0.578 0.578
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0367 0.1883
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0048 0.0366 0.0633
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0048 0.0366 0.135
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0453 0.2108
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.0785 0.9974 0.5
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0048 0.0366 0.135
Loa Loa (eye worm) hypothetical protein 0.0165 0.1889 1
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0048 0.0366 0.135
Echinococcus granulosus neuropeptide s receptor 0.0463 0.578 1
Brugia malayi 6-phosphofructokinase 0.0109 0.1163 0.6009
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0367 0.104
Chlamydia trachomatis phenylalanine--tRNA ligase subunit alpha 0.0785 0.9974 1
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0165 0.1889 0.3269
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0367 0.0367
Echinococcus multilocularis neuropeptide s receptor 0.0463 0.578 0.578
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1163 0.5878
Plasmodium falciparum phenylalanine--tRNA ligase 0.0048 0.0366 0.135
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0367 0.104
Loa Loa (eye worm) MBCTL1 0.0054 0.0453 0.2343
Schistosoma mansoni 6-phosphofructokinase 0.0109 0.1163 0.3296
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0048 0.0366 0.1627
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0165 0.1889 0.5354
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0165 0.1889 1
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0165 0.1889 0.1889
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0165 0.1889 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0276 0.1399
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0342 0.0968
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0039 0.0039
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0188 0.2198 0.2198
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0117 0.1268 1
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.1163 0.5878
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0367 0.5
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0048 0.0366 0.1036
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0453 0.1284
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.1163 0.5878
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0342 0.0591
Brugia malayi Bromodomain containing protein 0.0075 0.0723 0.3592
Loa Loa (eye worm) hypothetical protein 0.0071 0.0668 0.3486
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0453 0.0784
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0367 0.0635
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0342 0.0968
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0048 0.0366 0.0366
Loa Loa (eye worm) 6-phosphofructokinase 0.0109 0.1163 0.6128
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0165 0.1889 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0342 0.0591
Loa Loa (eye worm) 6-phosphofructokinase 0.0109 0.1163 0.6128
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0367 0.0635
Echinococcus granulosus neuropeptide receptor A26 0.0463 0.578 1
Brugia malayi Bromodomain containing protein 0.0038 0.0244 0.096
Schistosoma mansoni hypothetical protein 0.029 0.3529 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0213 0.0369
Schistosoma mansoni hypothetical protein 0.0021 0.0014 0.0039
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0109 0.1163 0.5878
Echinococcus multilocularis 6 phosphofructokinase 0.0109 0.1163 0.1163
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1163 0.5878
Onchocerca volvulus 0.0048 0.0367 0.5
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0048 0.0366 0.1036
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0165 0.1889 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0453 0.0453
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1163 0.5878
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0342 0.1494
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0165 0.1889 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0453 0.0784
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0165 0.1889 1
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0165 0.1889 1
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.0785 0.9974 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0453 0.2343
Loa Loa (eye worm) hypothetical protein 0.0043 0.0301 0.1532
Loa Loa (eye worm) phosphofructokinase 0.0109 0.1163 0.6128
Loa Loa (eye worm) hypothetical protein 0.0048 0.0367 0.1883
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0367 0.0367
Loa Loa (eye worm) hypothetical protein 0.0038 0.0245 0.1234
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0048 0.0366 0.135
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0048 0.0366 0.135
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0165 0.1889 1
Schistosoma mansoni 6-phosphofructokinase 0.0109 0.1163 0.3296
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0213 0.0213
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0188 0.2198 0.3802

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.