Detailed information for compound 200112

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 313.738 | Formula: C16H12ClN3O2
  • H donors: 1 H acceptors: 3 LogP: 1.34 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C1(O)C2=NCCN2C(=O)c2c1cccn2
  • InChi: 1S/C16H12ClN3O2/c17-11-5-3-10(4-6-11)16(22)12-2-1-7-18-13(12)14(21)20-9-8-19-15(16)20/h1-7,22H,8-9H2
  • InChiKey: ROSAZLQDQLIUIZ-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
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0025 0.0408 0.0408
Loa Loa (eye worm) hypothetical protein 0.0079 0.5428 0.5658
Toxoplasma gondii kringle domain-containing protein 0.0079 0.5428 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.5428 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.083 0.0865
Loa Loa (eye worm) hypothetical protein 0.0123 0.9592 1
Brugia malayi Kringle domain containing protein 0.0079 0.5428 0.5658
Loa Loa (eye worm) TK/ROR protein kinase 0.0079 0.5428 0.5658
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0123 0.9592 0.9592
Mycobacterium ulcerans hypothetical protein 0.0021 0 0.5
Onchocerca volvulus 0.0123 0.9592 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.9592 1
Plasmodium falciparum cysteine repeat modular protein 1 0.0079 0.5428 0.5
Schistosoma mansoni hypothetical protein 0.0079 0.5428 0.5428
Echinococcus granulosus tissue type plasminogen activator 0.0079 0.5428 1
Brugia malayi Trypsin family protein 0.0123 0.9592 1
Onchocerca volvulus 0.0102 0.7637 0.7962
Onchocerca volvulus 0.0079 0.5428 0.5658
Leishmania major hypothetical protein, conserved 0.0079 0.5428 0.5
Echinococcus multilocularis tissue type plasminogen activator 0.0079 0.5428 1
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0079 0.5428 0.5
Brugia malayi Protein kinase domain containing protein 0.0079 0.5428 0.5658

Activities

Activity type Activity value Assay description Source Reference
HDL-C change (functional) < 49 % Average percentage HDLC change in 6 cholesterol cholic acid-fed male rats (versus control) after treatment for 8 days at a dose of 100 mg/kg/day ChEMBL. 11212105

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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