Detailed information for compound 1484889

Basic information

Technical information
  • TDR Targets ID: 1484889
  • Name: T5548953
  • MW: 463.506 | Formula: C24H21N3O5S
  • H donors: 1 H acceptors: 4 LogP: 2.4 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)C1Oc2ccccc2N(C1)C(=O)c1cccc(c1)S(=O)(=O)N1CCc2c1cccc2
  • InChi: 1S/C24H21N3O5S/c25-23(28)22-15-26(20-10-3-4-11-21(20)32-22)24(29)17-7-5-8-18(14-17)33(30,31)27-13-12-16-6-1-2-9-19(16)27/h1-11,14,22H,12-13,15H2,(H2,25,28)
  • InChiKey: ZMHWSOYDYUVJKP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0091 0.1125 0.1229
Plasmodium vivax hypothetical protein, conserved 0.0091 0.1125 0.5
Mycobacterium ulcerans oxidoreductase 0.0091 0.1125 0.5
Loa Loa (eye worm) hypothetical protein 0.045 0.9148 0.9148
Leishmania major UDP-galactopyranose mutase 0.0091 0.1125 0.5
Schistosoma mansoni amine oxidase 0.0091 0.1125 0.1229
Loa Loa (eye worm) hypothetical protein 0.0488 1 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0091 0.1125 0.5
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0091 0.1125 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0427 0.0427
Toxoplasma gondii histone lysine-specific demethylase 0.0091 0.1125 0.5
Onchocerca volvulus 0.0488 1 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0091 0.1125 0.5
Plasmodium falciparum protoporphyrinogen oxidase 0.0091 0.1125 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0091 0.1125 0.5
Loa Loa (eye worm) hypothetical protein 0.0129 0.1976 0.1976
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0091 0.1125 0.5
Chlamydia trachomatis protoporphyrinogen oxidase 0.0091 0.1125 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.045 0.9148 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0091 0.1125 0.5
Schistosoma mansoni amine oxidase 0.0091 0.1125 0.1229
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0427 0.0427
Loa Loa (eye worm) hypothetical protein 0.0091 0.1125 0.1125
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0091 0.1125 0.5
Mycobacterium ulcerans dehydrogenase 0.0091 0.1125 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.045 0.9148 1
Mycobacterium ulcerans monoamine oxidase 0.0091 0.1125 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0091 0.1125 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0091 0.1125 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.1125 0.1125
Plasmodium vivax hypothetical protein, conserved 0.0091 0.1125 0.5
Loa Loa (eye worm) hypothetical protein 0.045 0.9148 0.9148
Schistosoma mansoni Lysine-specific histone demethylase 1 0.045 0.9148 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0091 0.1125 0.5
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0091 0.1125 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0091 0.1125 0.5
Brugia malayi amine oxidase, flavin-containing family protein 0.0129 0.1976 0.1976
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0427 0.0427
Brugia malayi hypothetical protein 0.0091 0.1125 0.1125
Mycobacterium tuberculosis Conserved hypothetical protein 0.0091 0.1125 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0427 0.0427

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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