Detailed information for compound 1078974

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 452.07 | Formula: C26H42ClNO3
  • H donors: 1 H acceptors: 2 LogP: 6.15 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC([C@@H](C(=O)O[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)N)C.Cl
  • InChi: 1S/C26H41NO3.ClH/c1-15(2)23(27)24(29)30-16(3)20-8-9-21-19-7-6-17-14-18(28)10-12-25(17,4)22(19)11-13-26(20,21)5;/h14-16,19-23H,6-13,27H2,1-5H3;1H/t16-,19-,20+,21-,22-,23-,25-,26+;/m0./s1
  • InChiKey: ILPPCUCIYLKYGL-AHFNSYKXSA-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
Schistosoma mansoni aminopeptidase A (M01 family) 0.0254 0.0479 0.0459
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.004 0.0028 0.0008
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0254 0.0479 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0254 0.0479 1
Loa Loa (eye worm) hypothetical protein 0.0254 0.0479 0.0479
Mycobacterium ulcerans aminopeptidase N PepN 0.0254 0.0479 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0254 0.0479 0.0459
Trypanosoma brucei aminopeptidase, putative 0.0254 0.0479 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0028 0.0592
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0254 0.0479 1
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0075 0.0054
Trypanosoma cruzi Aminopeptidase M1, putative 0.0254 0.0479 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0075 0.0054
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.004 0.0028 0.0008
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0254 0.0479 0.0459
Onchocerca volvulus 0.0254 0.0479 0.5
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.004 0.0028 0.0062
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0088 0.0088
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.004 0.0028 0.0008
Mycobacterium ulcerans aminopeptidase N PepN 0.0254 0.0479 1
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0088 0.0192
Brugia malayi hypothetical protein 0.0254 0.0479 0.1049
Onchocerca volvulus 0.0254 0.0479 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0043 0.0094
Echinococcus multilocularis aminopeptidase N 0.0254 0.0479 0.0459
Echinococcus granulosus ubiquitin specific protease 41 0.004 0.0028 0.0008
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0254 0.0479 1
Onchocerca volvulus 0.0254 0.0479 0.5
Brugia malayi Peptidase family M1 containing protein 0.0254 0.0479 0.1049
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0043 0.0022
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0254 0.0479 0.0459
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0043 0.0022
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.004 0.0028 0.0008
Entamoeba histolytica aminopeptidase, putative 0.0254 0.0479 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0043 0.0043
Trypanosoma brucei Aminopeptidase M1, putative 0.0254 0.0479 1
Echinococcus multilocularis ubiquitin specific protease 41 0.004 0.0028 0.0008
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0254 0.0479 0.0459
Brugia malayi hypothetical protein 0.2202 0.4568 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0254 0.0479 1
Toxoplasma gondii aminopeptidase N protein 0.0254 0.0479 1
Brugia malayi TATA binding protein associated factor 0.0254 0.0479 0.1049
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0254 0.0479 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.004 0.0028 0.0008
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.004 0.0028 0.0008
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0254 0.0479 0.0459
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0254 0.0479 0.0459
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0043 0.0022
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0043 0.0022
Toxoplasma gondii aminopeptidase N, putative 0.0254 0.0479 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0254 0.0479 1
Brugia malayi hypothetical protein 0.0254 0.0479 0.1049
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0043 0.0022
Loa Loa (eye worm) hypothetical protein 0.004 0.0028 0.0028
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0254 0.0479 0.0459
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0254 0.0479 0.0459
Trypanosoma cruzi aminopeptidase, putative 0.0254 0.0479 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0043 0.0022
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0254 0.0479 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0254 0.0479 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.004 0.0028 0.5
Brugia malayi Peptidase family M1 containing protein 0.0254 0.0479 0.1049
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0254 0.0479 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0254 0.0479 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0075 0.0054
Echinococcus granulosus aminopeptidase N 0.0254 0.0479 0.0459
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0043 0.0022
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.004 0.0028 0.0592
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0254 0.0479 0.0459
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0075 0.0054
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0088 0.0067
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0028 0.0592
Loa Loa (eye worm) hypothetical protein 0.0254 0.0479 0.0479
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0254 0.0479 0.0459
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0254 0.0479 1
Loa Loa (eye worm) aminopeptidase N 0.0254 0.0479 0.0479
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0254 0.0479 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0075 0.1564
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0075 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0254 0.0479 1
Brugia malayi hypothetical protein 0.0036 0.0021 0.0046
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0088 0.0067
Loa Loa (eye worm) RNA binding protein 0.0068 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0254 0.0479 0.0479
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0075 0.1564
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0254 0.0479 0.0459
Brugia malayi RNA binding protein 0.0068 0.0088 0.0192
Trypanosoma brucei Aminopeptidase M1, putative 0.0254 0.0479 1
Toxoplasma gondii aminopeptidase n, putative 0.0254 0.0479 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0254 0.0479 0.0459
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0088 0.0067
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0088 0.0067
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0254 0.0479 0.0459
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0254 0.0479 0.0459
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0254 0.0479 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0088 0.0067
Echinococcus granulosus tar DNA binding protein 0.0068 0.0088 0.0067
Trypanosoma cruzi aminopeptidase, putative 0.0254 0.0479 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0254 0.0479 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.004 0.0028 0.0164
Loa Loa (eye worm) peptidase family M1 containing protein 0.0254 0.0479 0.0479
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0028 0.0592
Loa Loa (eye worm) TATA binding protein associated factor 0.0254 0.0479 0.0479
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0088 0.0067
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0254 0.0479 0.0459
Brugia malayi TAR-binding protein 0.0068 0.0088 0.0192
Brugia malayi Peptidase family M1 containing protein 0.0254 0.0479 0.1049
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0254 0.0479 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0088 0.0088

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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