Detailed information for compound 228741

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 365.851 | Formula: C22H19ClFN2-
  • H donors: 0 H acceptors: 0 LogP: 5.48 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C1Cc2ccccc2N=C(N1C)c1ccccc1.[Cl-]
  • InChi: 1S/C22H19FN2.ClH/c1-25-21(16-11-13-19(23)14-12-16)15-18-9-5-6-10-20(18)24-22(25)17-7-3-2-4-8-17;/h2-14,21H,15H2,1H3;1H/p-1
  • InChiKey: VKFIZAPMACYDIJ-UHFFFAOYSA-M  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 granulosus tar DNA binding protein 0.0068 0.0486 0.0637
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0842 0.2839
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0486 0.1637
Loa Loa (eye worm) hypothetical protein 0.0098 0.0842 0.2839
Schistosoma mansoni hypothetical protein 0.0039 0.0137 0.0217
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0486 0.0765
Echinococcus granulosus glutamate receptor 2 0.008 0.0625 0.082
Entamoeba histolytica hypothetical protein 0.0039 0.0137 1
Trichomonas vaginalis glucosylceramidase, putative 0.0277 0.2966 1
Brugia malayi MH2 domain containing protein 0.0129 0.1207 0.4068
Brugia malayi Ets-domain containing protein 0.0084 0.0676 0.2278
Echinococcus granulosus glutamate receptor NMDA 0.0482 0.54 0.7079
Schistosoma mansoni hypothetical protein 0.0053 0.0305 0.048
Loa Loa (eye worm) RNA binding protein 0.0068 0.0486 0.1637
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0233 0.2443 0.385
Brugia malayi Glutamate receptor 2 precursor 0.0053 0.0305 0.1027
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.008 0.0625 0.0625
Echinococcus multilocularis glutamate receptor NMDA 0.0482 0.54 0.54
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0047 0.0062
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.008 0.0625 0.082
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0188 0.1907 0.1907
Brugia malayi Fli-1 protein 0.0255 0.2704 0.9115
Echinococcus multilocularis glutamate receptor 2 0.008 0.0625 0.0625
Echinococcus multilocularis geminin 0.0349 0.3825 0.3825
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0053 0.0305 0.0399
Echinococcus granulosus nmda type glutamate receptor 0.0509 0.572 0.75
Schistosoma mansoni hypothetical protein 0.0349 0.3825 0.6027
Schistosoma mansoni glutamate receptor AMPA 0.0053 0.0305 0.048
Trichomonas vaginalis glucosylceramidase, putative 0.0277 0.2966 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0233 0.2443 0.3203
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0047 0.016
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.008 0.0625 0.0625
Schistosoma mansoni glutamate receptor NMDA 0.0053 0.0305 0.048
Echinococcus granulosus geminin 0.0349 0.3825 0.5014
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0233 0.2443 0.2443
Brugia malayi hypothetical protein 0.0039 0.0137 0.0463
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0047 0.0047
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.1207 0.4068
Echinococcus multilocularis GA binding protein alpha chain 0.0084 0.0676 0.0676
Entamoeba histolytica hypothetical protein 0.0039 0.0137 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0474 0.1599
Brugia malayi Glutamate receptor 1 precursor 0.0053 0.0305 0.1027
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0053 0.0305 0.0305
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.008 0.0625 0.082
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0842 0.2839
Schistosoma mansoni glutamate receptor kainate 0.0053 0.0305 0.048
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.008 0.0625 0.082
Onchocerca volvulus Glucosylceramidase homolog 0.0182 0.1836 1
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0135 0.1282 0.5
Schistosoma mansoni hypothetical protein 0.0349 0.3825 0.6027
Schistosoma mansoni ATP-binding cassette transporter 0.0053 0.0305 0.048
Trichomonas vaginalis glucosylceramidase, putative 0.0277 0.2966 1
Schistosoma mansoni ets-related 0.0255 0.2704 0.4261
Schistosoma mansoni hypothetical protein 0.0067 0.0474 0.0747
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0842 0.2839
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0047 0.016
Entamoeba histolytica hypothetical protein 0.0039 0.0137 1
Trichomonas vaginalis glucosylceramidase, putative 0.0277 0.2966 1
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0486 0.0486
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0137 0.0137
Leishmania major extracellular receptor, putative 0.0027 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0486 0.0765
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0486 0.0765
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0137 0.018
Loa Loa (eye worm) glutamate receptor 2 0.0053 0.0305 0.1027
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0277 0.2966 1
Schistosoma mansoni hypothetical protein 0.0031 0.0047 0.0075
Schistosoma mansoni glutamate receptor kainate 0.0053 0.0305 0.048
Trypanosoma brucei RNA helicase, putative 0.0101 0.0875 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.008 0.0625 0.0625
Schistosoma mansoni hypothetical protein 0.0031 0.0047 0.0075
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0233 0.2443 0.2443
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0135 0.1282 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0474 0.1599
Entamoeba histolytica hypothetical protein 0.0039 0.0137 1
Echinococcus granulosus GA binding protein alpha chain 0.0084 0.0676 0.0886
Schistosoma mansoni glutamate receptor AMPA 0.0053 0.0305 0.048
Echinococcus granulosus glutamate receptor subunit protein glur 0.0053 0.0305 0.0399
Echinococcus multilocularis nmda type glutamate receptor 0.0669 0.7628 0.7628
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0486 0.1637
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0233 0.2443 0.385
Echinococcus granulosus nmda type glutamate receptor 0.0669 0.7628 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0277 0.2966 1
Schistosoma mansoni hypothetical protein 0.0031 0.0047 0.0075
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0135 0.1282 0.5
Trypanosoma cruzi extracellular receptor, putative 0.0027 0 0.5
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0053 0.0305 0.0305
Schistosoma mansoni hypothetical protein 0.0101 0.0875 0.1378
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0233 0.2443 0.3203
Echinococcus granulosus GPCR family 2 0.0031 0.0047 0.0062
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0053 0.0305 0.0399
Loa Loa (eye worm) fli-1 protein 0.0255 0.2704 0.9115
Schistosoma mansoni glutamate receptor NMDA 0.0561 0.6346 1
Echinococcus multilocularis nmda type glutamate receptor 0.0509 0.572 0.572
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0053 0.0305 0.0305
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0047 0.016
Trichomonas vaginalis glucosylceramidase, putative 0.0277 0.2966 1
Brugia malayi Ets-domain containing protein 0.0084 0.0676 0.2278
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0135 0.1282 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0137 0.0217
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.008 0.0625 0.0625
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0047 0.0047
Schistosoma mansoni gabp alpha 0.0084 0.0676 0.1065
Echinococcus multilocularis glutamate receptor 2 0.0053 0.0305 0.0305
Trichomonas vaginalis glucosylceramidase, putative 0.0277 0.2966 1
Trichomonas vaginalis glucosylceramidase, putative 0.0191 0.1952 0.1027
Loa Loa (eye worm) glutamate receptor 1 0.0053 0.0305 0.1027
Loa Loa (eye worm) hypothetical protein 0.0072 0.0531 0.1791
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0233 0.2443 0.8237
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0486 0.0765
Schistosoma mansoni glutamate receptor kainate 0.0053 0.0305 0.048
Trichomonas vaginalis glucosylceramidase, putative 0.0191 0.1952 0.1027
Brugia malayi RNA binding protein 0.0068 0.0486 0.1637
Schistosoma mansoni hypothetical protein 0.0031 0.0047 0.0075
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0047 0.0062
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0233 0.2443 0.8237
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0233 0.2443 0.385
Loa Loa (eye worm) hypothetical protein 0.0031 0.0047 0.016
Brugia malayi TAR-binding protein 0.0068 0.0486 0.1637
Chlamydia trachomatis glutamine binding protein 0.0135 0.1282 0.5
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0135 0.1282 0.5
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0084 0.0676 0.2278
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0053 0.0305 0.0305
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.008 0.0625 0.082
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0486 0.1637
Echinococcus granulosus glutamate NMDA receptor subunit 0.0053 0.0305 0.0399
Echinococcus multilocularis GPCR, family 2 0.0031 0.0047 0.0047
Echinococcus multilocularis NMDA receptor 0.0053 0.0305 0.0305
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.1207 0.4068
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0053 0.0305 0.0399
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0486 0.0765

Activities

Activity type Activity value Assay description Source Reference
BP (functional) = -8 mmHg Antihypertensive activity of the compound was evaluated in spontaneously hypertensive rat model with base line sytoslic pressure of 185 mmHg by the indirect tail-cuff method at an oral screening dose of 50 mg/kg. ChEMBL. 6699886

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.