Detailed information for compound 1878927

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 243.647 | Formula: C9H10ClN3O3
  • H donors: 3 H acceptors: 2 LogP: 0.84 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(Cl)cc(c1O)/C=N/NC(=O)N
  • InChi: 1S/C9H10ClN3O3/c1-16-7-3-6(10)2-5(8(7)14)4-12-13-9(11)15/h2-4,14H,1H3,(H3,11,13,15)/b12-4+
  • InChiKey: NDRRLKYPMUVRBR-UUILKARUSA-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
Loa Loa (eye worm) hypothetical protein 0.0208 0.0013 0.002
Loa Loa (eye worm) TK/ROR protein kinase 0.0799 0.3338 0.5184
Plasmodium falciparum cysteine repeat modular protein 1 0.0799 0.3338 0.5
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0315 0.0617 0.0958
Brugia malayi hypothetical protein 0.0925 0.4046 0.6284
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1983 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.135 0.6439 1
Loa Loa (eye worm) hypothetical protein 0.0208 0.0013 0.002
Echinococcus multilocularis geminin 0.0291 0.0484 0.0472
Loa Loa (eye worm) hypothetical protein 0.0315 0.0617 0.0958
Brugia malayi Kringle domain containing protein 0.0799 0.3338 0.5184
Loa Loa (eye worm) trypsin family protein 0.0208 0.0013 0.002
Onchocerca volvulus 0.0315 0.0617 0.0939
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0315 0.0617 0.0604
Echinococcus granulosus tissue type plasminogen activator 0.0799 0.3338 0.3329
Echinococcus multilocularis inhibitor of apoptosis protein 0.0315 0.0617 0.0604
Brugia malayi Trypsin family protein 0.0208 0.0013 0.002
Brugia malayi Trypsin family protein 0.0208 0.0013 0.002
Loa Loa (eye worm) hypothetical protein 0.0315 0.0617 0.0958
Onchocerca volvulus 0.135 0.6439 1
Leishmania major hypothetical protein, conserved 0.0799 0.3338 0.5
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0208 0.0013 0.002
Loa Loa (eye worm) hypothetical protein 0.0925 0.4046 0.6284
Schistosoma mansoni hypothetical protein 0.0291 0.0484 0.0733
Loa Loa (eye worm) hypothetical protein 0.0208 0.0013 0.002
Brugia malayi Trypsin-like protease protein 5 0.0208 0.0013 0.002
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0315 0.0617 0.0604
Brugia malayi hypothetical protein 0.0208 0.0013 0.002
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0315 0.0617 0.0939
Onchocerca volvulus Deterin homolog 0.0315 0.0617 0.0939
Loa Loa (eye worm) hypothetical protein 0.135 0.6439 1
Toxoplasma gondii kringle domain-containing protein 0.0799 0.3338 0.5
Schistosoma mansoni hypothetical protein 0.0799 0.3338 0.5174
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.135 0.6439 1
Trypanosoma cruzi hypothetical protein, conserved 0.0799 0.3338 0.5
Brugia malayi sulfakinin receptor protein 0.0925 0.4046 0.6284
Schistosoma mansoni hypothetical protein 0.0291 0.0484 0.0733
Mycobacterium ulcerans hypothetical protein 0.0208 0.0013 0.5
Brugia malayi Trypsin family protein 0.135 0.6439 1
Echinococcus granulosus inhibitor of apoptosis protein 0.0315 0.0617 0.0604
Schistosoma mansoni hypothetical protein 0.0315 0.0617 0.0939
Echinococcus granulosus geminin 0.0291 0.0484 0.0472
Onchocerca volvulus 0.1142 0.5271 0.8183
Loa Loa (eye worm) hypothetical protein 0.135 0.6439 1
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0315 0.0617 0.0958
Loa Loa (eye worm) hypothetical protein 0.0799 0.3338 0.5184
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0799 0.3338 0.5
Echinococcus multilocularis tissue type plasminogen activator 0.0799 0.3338 0.3329
Brugia malayi Trypsin family protein 0.0208 0.0013 0.002
Brugia malayi Protein kinase domain containing protein 0.0799 0.3338 0.5184
Onchocerca volvulus 0.0799 0.3338 0.5174
Loa Loa (eye worm) hypothetical protein 0.0208 0.0013 0.002
Loa Loa (eye worm) hypothetical protein 0.0208 0.0013 0.002
Schistosoma mansoni inhibitor of apoptosis protein 0.0315 0.0617 0.0939

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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