Detailed information for compound 30170

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 438.513 | Formula: C26H30O6
  • H donors: 0 H acceptors: 2 LogP: 7.01 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1ccc2c(o1)cc1c(c2OCCCCCCCCCCC2CC(=C)C(=O)O2)cco1
  • InChi: 1S/C26H30O6/c1-18-16-19(31-26(18)28)10-8-6-4-2-3-5-7-9-14-30-25-20-11-12-24(27)32-23(20)17-22-21(25)13-15-29-22/h11-13,15,17,19H,1-10,14,16H2
  • InChiKey: CCARVICJKPMIPA-UHFFFAOYSA-N  

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
Toxoplasma gondii subtilisin SUB12 0.0008 0.0195 1
Trypanosoma cruzi subtilisin peptidase 0.0008 0.0195 0.239
Echinococcus granulosus transient receptor potential cation channel 0.0003 0.0009 0.0024
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0101 0.3671 1
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0008 0.0195 0.5
Loa Loa (eye worm) hypothetical protein 0.0003 0.000000060518 0.000000060518
Plasmodium vivax subtilisin-like protease 1 0.0008 0.0195 0.5
Echinococcus multilocularis neuroendocrine convertase 2 0.0008 0.0195 0.0531
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0195 0.0195
Plasmodium falciparum subtilisin-like protease 3 0.0008 0.0195 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Toxoplasma gondii subtilisin SUB2 0.0008 0.0195 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Echinococcus granulosus Furin 1 0.0008 0.0195 0.0531
Echinococcus multilocularis short transient receptor potential channel 6 0.0003 0.0009 0.0024
Echinococcus granulosus transient receptor potential cation channel 0.0003 0.000000060518 0.00000016487
Toxoplasma gondii subtilisin SUB11 0.0008 0.0195 1
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0008 0.0195 0.0195
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0008 0.0195 0.0531
Brugia malayi neuroendocrine convertase 1 precursor 0.0008 0.0195 0.0195
Plasmodium vivax subtilisin-like protease 2, putative 0.0008 0.0195 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Echinococcus multilocularis transient receptor potential cation channel 0.0003 0.000000060518 0.00000016487
Loa Loa (eye worm) hypothetical protein 0.0003 0.000000060518 0.000000060518
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0008 0.0195 0.0195
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Trypanosoma brucei subtilisin peptidase 0.0008 0.0195 1
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0101 0.3671 1
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0008 0.0195 0.5
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0008 0.0195 1
Toxoplasma gondii subtilisin SUB7 0.0008 0.0195 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Echinococcus granulosus short transient receptor potential channel 6 0.0003 0.0009 0.0024
Leishmania major subtilisin-like serine peptidase 0.0008 0.0195 0.239
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Schistosoma mansoni transient receptor potential channel 0.0003 0.000000060518 0.000000060518
Brugia malayi endoprotease bli-4 precursor 0.0008 0.0195 0.0195
Loa Loa (eye worm) subtilase 0.0271 1 1
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0008 0.0195 0.5
Plasmodium falciparum subtilisin-like protease 2 0.0008 0.0195 0.5
Mycobacterium leprae Possible secreted protease 0.0008 0.0195 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Brugia malayi olfactory channel protein osm-9 0.0003 0.0009 0.0009
Leishmania major hypothetical protein, conserved 0.0025 0.0816 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Echinococcus multilocularis transient receptor potential cation channel 0.0003 0.0009 0.0024
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0008 0.0195 0.239
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0008 0.0195 0.5
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0271 1 1
Brugia malayi POT family protein 0.0218 0.8014 0.8014
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0195 1
Loa Loa (eye worm) proprotein convertase 2 0.0008 0.0195 0.0195
Echinococcus multilocularis Furin 1 0.0008 0.0195 0.0531
Schistosoma mansoni transient receptor potential channel 0.0003 0.0009 0.0009
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Toxoplasma gondii subtilisin SUB1 0.0008 0.0195 1
Brugia malayi follicle stimulating hormone receptor 0.0244 0.8989 0.8989
Toxoplasma gondii subtilisin SUB9 0.0008 0.0195 1
Toxoplasma gondii subtilisin SUB4 0.0008 0.0195 1
Loa Loa (eye worm) hypothetical protein 0.0003 0.0009 0.0009
Echinococcus granulosus membrane bound transcription factor site 1 0.0008 0.0195 0.0531
Schistosoma mansoni site-1 peptidase (S08 family) 0.0008 0.0195 0.0195
Brugia malayi proprotein convertase 2 0.0008 0.0195 0.0195
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0008 0.0195 0.239
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0008 0.0195 0.0195
Plasmodium vivax subtilisin-like serine protease, putative 0.0008 0.0195 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0195 0.0195
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Echinococcus multilocularis membrane bound transcription factor site 1 0.0008 0.0195 0.0531
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0008 0.0195 0.0531
Echinococcus multilocularis transient receptor potential cation channel 0.0003 0.0009 0.0024
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.0816 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Schistosoma mansoni site-1 peptidase (S08 family) 0.0008 0.0195 0.0195
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0195 1
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0008 0.0195 0.239
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0008 0.0195 0.0195
Toxoplasma gondii subtilisin SUB6 0.0008 0.0195 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0195 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Echinococcus multilocularis 0.0008 0.0195 0.0531
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0008 0.0195 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.0816 1
Echinococcus granulosus neuroendocrine convertase 2 0.0008 0.0195 0.0531
Onchocerca volvulus 0.0008 0.0195 1
Brugia malayi celfurPC protein 0.0008 0.0195 0.0195
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0195 1
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0008 0.0195 0.5
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0008 0.0195 0.5
Toxoplasma gondii subtilisin SUB8 0.0008 0.0195 1
Loa Loa (eye worm) endoprotease bli-4 0.0008 0.0195 0.0195
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0195 1
Toxoplasma gondii subtilisin SUB5 0.0008 0.0195 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Echinococcus granulosus furin 0.0008 0.0195 0.0531
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0008 0.0195 0.0195
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0244 0.8989 0.8989
Plasmodium falciparum subtilisin-like protease 1 0.0008 0.0195 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0008 0.0195 0.5
Schistosoma mansoni furin-1 (S08 family) 0.0008 0.0195 0.0195
Toxoplasma gondii subtilisin SUB10 0.0008 0.0195 1
Echinococcus granulosus transient receptor potential cation channel 0.0003 0.000000060518 0.00000016487
Schistosoma mansoni transient receptor potential channel 0.0003 0.000000060518 0.000000060518
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0008 0.0195 0.5
Loa Loa (eye worm) POT family protein 0.0218 0.8014 0.8014
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0008 0.0195 1

Activities

Activity type Activity value Assay description Source Reference
Phototoxicity (functional) Phototoxicity of the compound was evaluated at a concentration of 1.4 mM and with an irradiation dose of 6 J/cm**2 in mouse ear-swelling test; non-phototoxic ChEMBL. No reference
Phototoxicity (functional) Phototoxicity of the compound was evaluated at a concentration of 27.7 mM at a UVA dose of 12 J/cm**2 in mouse ear-swelling test; non-phototoxic ChEMBL. No reference
Phototoxicity (functional) 0 Phototoxicity of the compound was evaluated at a concentration of 1.4 mM and with an irradiation dose of 6 J/cm**2 in mouse ear-swelling test; non-phototoxic ChEMBL. No reference
Phototoxicity (functional) 0 Phototoxicity of the compound was evaluated at a concentration of 27.7 mM at a UVA dose of 12 J/cm**2 in mouse ear-swelling test; non-phototoxic ChEMBL. No reference

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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