Detailed information for compound 1725383

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 623.547 | Formula: C30H30N3O10P
  • H donors: 4 H acceptors: 6 LogP: 1.65 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2c2c1cccc2)CC(=O)N)Cc1ccc2c(c1)COP(=O)(O2)O
  • InChi: 1S/C30H30N3O10P/c1-40-29(36)25(13-17-10-11-26-18(12-17)15-42-44(38,39)43-26)32-28(35)24(14-27(31)34)33-30(37)41-16-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-12,23-25H,13-16H2,1H3,(H2,31,34)(H,32,35)(H,33,37)(H,38,39)/t24-,25-/m0/s1
  • InChiKey: ASGKESZFXKYWKT-DQEYMECFSA-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
Trypanosoma brucei cytochrome P450, putative 0.0012 0.0019 0.0101
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0198 0.1894 0.3438
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0558 0.5508 0.5508
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0198 0.1894 1
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0305 0.0554
Leishmania major hypothetical protein, conserved 0.0198 0.1894 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0198 0.1894 1
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0198 0.1894 0.1894
Schistosoma mansoni hypothetical protein 0.0558 0.5508 1
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0006 0.0012
Trypanosoma cruzi hypothetical protein, conserved 0.0198 0.1894 1
Brugia malayi brahma associated protein 60 kDa 0.0558 0.5508 1
Onchocerca volvulus 0.0198 0.1894 0.3438
Brugia malayi Cytochrome P450 family protein 0.0012 0.0019 0.0035
Leishmania major hypothetical protein, conserved 0.0198 0.1894 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0012 0.0019 0.5
Echinococcus multilocularis zinc finger protein Ran binding 0.0198 0.1894 0.1894
Schistosoma mansoni zinc finger protein 0.0198 0.1894 0.3438
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0198 0.1894 0.1894
Trypanosoma cruzi WLM domain containing protein, putative 0.0198 0.1894 1
Echinococcus granulosus voltage gated potassium channel 0.0011 0.0006 0.0006
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0198 0.1894 1
Plasmodium vivax hypothetical protein, conserved 0.0558 0.5508 1
Chlamydia trachomatis DNA topoisomerase I 0.0558 0.5508 0.5
Leishmania major cytochrome p450-like protein 0.0012 0.0019 0.0101
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0019 0.0035
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0558 0.5508 0.5508
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0558 0.5508 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0558 0.5508 1
Trypanosoma cruzi hypothetical protein, conserved 0.0198 0.1894 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0558 0.5508 1
Onchocerca volvulus 0.0198 0.1894 0.3438
Loa Loa (eye worm) hypothetical protein 0.0147 0.1377 0.25
Onchocerca volvulus 0.0147 0.1377 0.25
Schistosoma mansoni hypothetical protein 0.0558 0.5508 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0558 0.5508 0.5508
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0198 0.1894 0.3438
Chlamydia trachomatis SWIB complex protein 0.0558 0.5508 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0198 0.1894 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0198 0.1894 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0198 0.1894 1
Loa Loa (eye worm) hypothetical protein 0.0198 0.1894 0.3438
Echinococcus granulosus SWI:SNF matrix associated 0.0558 0.5508 0.5508
Onchocerca volvulus 0.0198 0.1894 0.3438
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0006 0.0012
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0305 0.0554
Leishmania major hypothetical protein, conserved 0.0198 0.1894 1
Trichomonas vaginalis conserved hypothetical protein 0.0558 0.5508 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0558 0.5508 1
Loa Loa (eye worm) brahma associated protein 0.0558 0.5508 1
Schistosoma mansoni RNA binding protein 0.0198 0.1894 0.3438
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0198 0.1894 0.3438
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0198 0.1894 0.3438
Trypanosoma cruzi hypothetical protein, conserved 0.0198 0.1894 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.0006 0.0006
Echinococcus granulosus Zinc finger RanBP2 type 0.0198 0.1894 0.1894
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0558 0.5508 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0558 0.5508 1
Trypanosoma brucei hypothetical protein, conserved 0.0198 0.1894 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.0006 0.0006
Onchocerca volvulus 0.0558 0.5508 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.0271 0.0492
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.0006 0.0006
Leishmania major hypothetical protein, conserved 0.0198 0.1894 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0558 0.5508 1
Brugia malayi brahma associated protein 60 kDa 0.0558 0.5508 1
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0198 0.1894 0.3438
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0019 0.0035
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0246 0.0447
Loa Loa (eye worm) hypothetical protein 0.0032 0.0222 0.0403
Schistosoma mansoni brg-1 associated factor 0.0558 0.5508 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0558 0.5508 0.5508
Schistosoma mansoni cellular tumor antigen P53 0.0147 0.1377 0.25
Echinococcus multilocularis ring and YY1 binding protein 0.0198 0.1894 0.1894
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0019 0.0035
Echinococcus multilocularis SWI:SNF matrix associated 0.0558 0.5508 0.5508
Brugia malayi Cytochrome P450 family protein 0.0012 0.0019 0.0035
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0198 0.1894 1
Loa Loa (eye worm) hypothetical protein 0.0198 0.1894 0.3438
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.0271 0.0271
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0198 0.1894 1
Schistosoma mansoni fusion 0.0198 0.1894 0.3438
Leishmania major hypothetical protein, conserved 0.0198 0.1894 1
Schistosoma mansoni hypothetical protein 0.0198 0.1894 0.3438
Schistosoma mansoni TRABID protein (C64 family) 0.0198 0.1894 0.3438
Onchocerca volvulus 0.0198 0.1894 0.3438
Brugia malayi YY1-associated factor 2 0.0198 0.1894 0.3438
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.0271 0.0492
Echinococcus granulosus zinc finger protein Ran binding 0.0198 0.1894 0.1894
Loa Loa (eye worm) hypothetical protein 0.0198 0.1894 0.3438
Loa Loa (eye worm) hypothetical protein 0.0198 0.1894 0.3438
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0246 0.0447
Loa Loa (eye worm) hypothetical protein 0.0198 0.1894 0.3438
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0198 0.1894 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0198 0.1894 0.3438
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0198 0.1894 0.1894
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0198 0.1894 0.3438
Echinococcus granulosus ring and YY1 binding protein 0.0198 0.1894 0.1894
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0019 0.0101
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.0006 0.0012
Toxoplasma gondii ran binding protein 0.0198 0.1894 0.3438
Schistosoma mansoni hypothetical protein 0.0558 0.5508 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.0271 0.0271
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0019 0.0101
Loa Loa (eye worm) hypothetical protein 0.0011 0.0006 0.0012

Activities

Activity type Activity value Assay description Source Reference
FC (binding) = 0.8 Inhibition of recombinant 6-His-tagged SLAM associated protein SH2 domain (unknown origin) expressed in Escherichia coli BL21(DE3) binding to biotinyl-KKSLTIpYAQVQK-NH2 attached to NeutrAvidin-coated plates using p-nitrophenyl phosphate as substrate at 10 uM after 1 hr relative to control ChEMBL. 23470190
Inhibition (binding) Inhibition of recombinant 6-His-tagged SLAM associated protein SH2 domain (unknown origin) expressed in Escherichia coli BL21(DE3) binding to biotinyl-KKSLTIpYAQVQK-NH2 attached to NeutrAvidin-coated plates using p-nitrophenyl phosphate as substrate at 100 uM after 1 hr ChEMBL. 23470190

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

1 literature reference was collected for this gene.

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