Detailed information for compound 1520919

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 375.851 | Formula: C22H18ClN3O
  • H donors: 1 H acceptors: 2 LogP: 5.19 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)Cn1c(NC(=O)c2ccccc2C)nc2c1cccc2
  • InChi: 1S/C22H18ClN3O/c1-15-6-2-3-7-18(15)21(27)25-22-24-19-8-4-5-9-20(19)26(22)14-16-10-12-17(23)13-11-16/h2-13H,14H2,1H3,(H,24,25,27)
  • InChiKey: LEVKCXGFIWHMKH-UHFFFAOYSA-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
Echinococcus multilocularis muscleblind protein 0.0151 0.1017 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0126 0.0811 0.7961
Trichomonas vaginalis glutaminase, putative 0.0265 0.1962 1
Loa Loa (eye worm) glutaminase 0.0265 0.1962 0.3281
Brugia malayi Muscleblind-like protein 0.0151 0.1017 0.1008
Echinococcus multilocularis thyroid hormone receptor alpha 0.0136 0.0896 0.8799
Plasmodium falciparum acyl-CoA synthetase 0.0704 0.562 0.5
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.123 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0722 0.1197
Mycobacterium ulcerans hypothetical protein 0.0398 0.307 0.208
Mycobacterium ulcerans acetolactate synthase 0.0704 0.562 0.4994
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.123 1 1
Loa Loa (eye worm) ILVBL protein 0.0745 0.596 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.1017 0.1693
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) 0.0526 0.414 0.3304
Schistosoma mansoni thyroid hormone receptor 0.0136 0.0896 0.1043
Schistosoma mansoni acetolactate synthase 0.1051 0.851 1
Entamoeba histolytica pyruvate:ferredoxin oxidoreductase 0.0179 0.1249 0.5
Schistosoma mansoni hypothetical protein 0.0126 0.0811 0.0943
Giardia lamblia Pyruvate-flavodoxin oxidoreductase 0.0179 0.1249 0.5
Onchocerca volvulus 0.0238 0.1738 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0126 0.0811 0.798
Schistosoma mansoni glutaminase 0.0265 0.1962 0.2297
Plasmodium vivax acyl-CoA synthetase, putative 0.0704 0.562 1
Mycobacterium ulcerans glutaminase 0.0265 0.1962 0.0814
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0704 0.562 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0009 0.5
Brugia malayi glutaminase DH11.1 0.0265 0.1962 0.1955
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0398 0.307 0.5
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0704 0.562 0.4994
Echinococcus multilocularis muscleblind protein 1 0.0151 0.1017 1
Brugia malayi Pre-SET motif family protein 0.0209 0.1498 0.149
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0704 0.562 0.4994
Echinococcus granulosus muscleblind protein 0.0151 0.1017 1
Brugia malayi MH2 domain containing protein 0.0116 0.0722 0.0713
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0398 0.307 0.5
Schistosoma mansoni acetolactate synthase 0.1051 0.851 1
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.0705 0.563 0.9444
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0398 0.307 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0722 0.1197
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.123 1 1
Mycobacterium ulcerans 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase 0.0219 0.158 0.0378
Trichomonas vaginalis set domain proteins, putative 0.0238 0.1738 0.6859
Mycobacterium ulcerans hypothetical protein 0.123 1 1
Loa Loa (eye worm) glutaminase 2 0.0265 0.1962 0.3281
Loa Loa (eye worm) hypothetical protein 0.0151 0.1017 0.1693
Schistosoma mansoni thyroid hormone receptor 0.0136 0.0896 0.1043
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.123 1 1
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.123 1 1
Treponema pallidum pyruvate oxidoreductase 0.0179 0.1249 0.5
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0398 0.307 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0009 0.009
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.123 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.1498 0.2502

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD2 revised. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1566, AID1575, AID1578, AID1579, AID1848, AID1849, AID1852, AID2469, AID2475, AID2799, AID2800] ChEMBL. No reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD1 revised. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1575, AID1578, AID2335, AID2466, AID2469, AID2505, AID2798, AID2800] ChEMBL. No reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: SAR analysis of inhibitors of TNFa specific NF-kB induction revised. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1566, AID1575, AID1578, AID1579, AID1852, AID2469, AID2483, AID2485, AID2800, AID2801] 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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