Detailed information for compound 1572072

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 368.259 | Formula: C20H15Cl2N3
  • H donors: 0 H acceptors: 1 LogP: 4.96 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)n1ccc(c1)[C@@H](n1cncc1)c1ccc(cc1)Cl
  • InChi: 1S/C20H15Cl2N3/c21-17-3-1-15(2-4-17)20(25-12-10-23-14-25)16-9-11-24(13-16)19-7-5-18(22)6-8-19/h1-14,20H/t20-/m0/s1
  • InChiKey: WNFWTALOSDILBM-FQEVSTJZSA-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
Brugia malayi Cathepsin L-like precursor 0.0033 0.0351 0.0351
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0351 0.0351
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0033 0.0351 0.0237
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0033 0.0351 0.0351
Schistosoma mansoni glutamate receptor kainate 0.0025 0.0117 0.0117
Trypanosoma cruzi cysteine peptidase, putative 0.0124 0.3339 0.3096
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0351 0.0351
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0328 1 0.5
Trypanosoma cruzi major cysteine proteinase, putative 0.0097 0.2472 0.2198
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.003 0.0275 0.0159
Onchocerca volvulus 0.0033 0.0351 0.0351
Schistosoma mansoni cathepsin F (C01 family) 0.0033 0.0351 0.0351
Echinococcus granulosus eukaryotic initiation factor 4A 0.0328 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0033 0.0351 0.0351
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0351 0.0351
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.0351 0.0351
Schistosoma mansoni glutamate receptor NMDA 0.003 0.0275 0.0275
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0351 0.0351
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0062 0.131 0.131
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0328 1 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0025 0.0117 0.0117
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.003 0.0275 0.0159
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0351 0.0351
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0328 1 1
Schistosoma mansoni glutamate receptor kainate 0.0025 0.0117 0.0117
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.003 0.0275 0.0159
Onchocerca volvulus 0.0033 0.0351 0.0351
Trypanosoma cruzi cruzipain precursor, putative 0.0124 0.3339 0.3096
Echinococcus granulosus cathepsin L cysteine proteinase 0.0033 0.0351 0.0351
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0033 0.0351 0.0351
Brugia malayi Cathepsin L-like precursor 0.0033 0.0351 0.0351
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0062 0.131 0.1207
Schistosoma mansoni glutamate receptor AMPA 0.0025 0.0117 0.0117
Schistosoma mansoni inhibitor of apoptosis protein 0.0062 0.131 0.131
Echinococcus multilocularis cathepsin L cysteine protease 0.0033 0.0351 0.0237
Echinococcus granulosus cathepsin l1 0.0033 0.0351 0.0351
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0351 0.0351
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0351 0.0351
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0351 0.0351
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0328 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0351 0.0351
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0351 0.0351
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0328 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0351 0.0351
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0351 0.0351
Loa Loa (eye worm) fibroinase 0.0033 0.0351 0.0351
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0351 0.0351
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.0351 0.0351
Loa Loa (eye worm) hypothetical protein 0.0062 0.131 0.131
Loa Loa (eye worm) ctsf protein 0.0033 0.0351 0.0351
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0351 0.0351
Trypanosoma cruzi cysteine peptidase, putative 0.0124 0.3339 0.3096
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0351 0.0351
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0328 1 1
Chlamydia trachomatis glutamine binding protein 0.0024 0.0075 0.5
Echinococcus granulosus glutamate receptor 2 0.003 0.0275 0.0275
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0351 0.0351
Loa Loa (eye worm) hypothetical protein 0.0062 0.131 0.131
Brugia malayi Cathepsin L-like precursor 0.0033 0.0351 0.0351
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0351 0.0351
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0033 0.0381 0.0267
Schistosoma mansoni glutamate receptor AMPA 0.0025 0.0117 0.0117
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0033 0.0351 0.0237
Entamoeba histolytica cysteine protease, putative 0.0033 0.0351 0.0351
Leishmania major cathepsin L-like protease 0.0124 0.3339 0.3096
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.003 0.0275 0.0159
Echinococcus multilocularis glutamate receptor 2 0.003 0.0275 0.0159
Echinococcus multilocularis cysteine protease 0.0033 0.0351 0.0237
Brugia malayi Cathepsin L-like precursor 0.0033 0.0351 0.0351
Onchocerca volvulus 0.0062 0.131 0.131
Schistosoma mansoni glutamate receptor kainate 0.0025 0.0117 0.0117
Brugia malayi Glutamate receptor 2 precursor 0.0025 0.0117 0.0117
Echinococcus multilocularis nmda type glutamate receptor 0.0033 0.0381 0.0267
Echinococcus multilocularis cysteine protease 0.0033 0.0351 0.0237
Echinococcus multilocularis inhibitor of apoptosis protein 0.0062 0.131 0.1207
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.003 0.0275 0.0275
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0351 0.0351
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0328 1 1
Loa Loa (eye worm) glutamate receptor 2 0.0025 0.0117 0.0117
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0024 0.0075 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0351 0.0351
Onchocerca volvulus Cathepsin L homolog 0.0033 0.0351 0.0351
Onchocerca volvulus 0.0033 0.0351 0.0351
Onchocerca volvulus Cathepsin L homolog 0.0033 0.0351 0.0351
Brugia malayi Glutamate receptor 1 precursor 0.0025 0.0117 0.0117
Leishmania major eukaryotic initiation factor 4a, putative 0.0328 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0351 0.0351
Echinococcus multilocularis cathepsin L cysteine protease 0.0033 0.0351 0.0237
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0033 0.0351 0.0351
Leishmania major eukaryotic initiation factor 4a, putative 0.0328 1 1
Onchocerca volvulus 0.0033 0.0351 0.0351
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0328 1 1
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0328 1 1
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0062 0.131 0.131
Onchocerca volvulus 0.0033 0.0351 0.0351
Echinococcus granulosus inhibitor of apoptosis protein 0.0062 0.131 0.131
Treponema pallidum ATP-dependent RNA helicase 0.0328 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0351 0.0351
Schistosoma mansoni glutamate receptor NMDA 0.0025 0.0117 0.0117
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0033 0.0351 0.0351
Onchocerca volvulus Cathepsin F homolog 0.0033 0.0351 0.0351
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0328 1 1
Brugia malayi Cathepsin L-like precursor 0.0033 0.0351 0.0351
Plasmodium falciparum eukaryotic initiation factor 4A 0.0328 1 1
Leishmania major cathepsin L-like protease 0.0124 0.3339 0.3096
Loa Loa (eye worm) hypothetical protein 0.0328 1 1
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0024 0.0075 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0033 0.0381 0.0381
Trypanosoma cruzi cysteine peptidase, putative 0.0124 0.3339 0.3096
Loa Loa (eye worm) cysteine protease 0.0033 0.0351 0.0351
Loa Loa (eye worm) glutamate receptor 1 0.0025 0.0117 0.0117
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.003 0.0275 0.0275
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.003 0.0275 0.0275
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0328 1 1
Onchocerca volvulus 0.0033 0.0351 0.0351
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0328 1 1
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0328 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0328 1 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0328 1 1
Brugia malayi Cathepsin L-like precursor 0.0033 0.0351 0.0351
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.003 0.0275 0.0275
Schistosoma mansoni ATP-binding cassette transporter 0.0025 0.0117 0.0117
Onchocerca volvulus 0.0033 0.0351 0.0351
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0351 0.0351
Brugia malayi Papain family cysteine protease containing protein 0.0033 0.0351 0.0351
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0328 1 1
Schistosoma mansoni hypothetical protein 0.0062 0.131 0.131
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0062 0.131 0.131
Onchocerca volvulus Deterin homolog 0.0062 0.131 0.131
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0062 0.131 0.131
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0351 0.0351
Leishmania major cathepsin L-like protease 0.0124 0.3339 0.3096
Plasmodium vivax RNA helicase-1, putative 0.0328 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0033 0.0351 0.0351
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0113 0.2988 0.2732
Loa Loa (eye worm) hypothetical protein 0.0033 0.0351 0.0351

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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