Detailed information for compound 1676585

Basic information

Technical information
  • TDR Targets ID: 1676585
  • Name: 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-methy l-5,6,7,8-tetrahydrooxepino[3,2-c]pyrazol-8-a mine
  • MW: 388.29 | Formula: C20H19Cl2N3O
  • H donors: 1 H acceptors: 1 LogP: 4.71 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC1CCCOc2c1nn(c2c1ccc(cc1)Cl)c1ccccc1Cl
  • InChi: 1S/C20H19Cl2N3O/c1-23-16-6-4-12-26-20-18(16)24-25(17-7-3-2-5-15(17)22)19(20)13-8-10-14(21)11-9-13/h2-3,5,7-11,16,23H,4,6,12H2,1H3
  • InChiKey: XQSBDSKMUJXCRO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6,7,8-tetrahydrooxepino[3,2-c]pyrazol-8-yl]-methyl-amine

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 cGMP dependent protein kinase 1 0.0016 0.0174 0.0223
Schistosoma mansoni hypothetical protein 0.0199 0.6917 1
Echinococcus multilocularis geminin 0.0199 0.6917 1
Schistosoma mansoni serine/threonine protein kinase 0.0016 0.0174 0.0223
Loa Loa (eye worm) hypothetical protein 0.0015 0.0154 0.0134
Loa Loa (eye worm) hypothetical protein 0.0019 0.0266 0.0246
Echinococcus multilocularis hyperpolarization activated cyclic 0.0023 0.0438 0.0606
Brugia malayi Calcitonin receptor-like protein seb-1 0.0059 0.1741 0.1738
Echinococcus multilocularis cAMP dependent protein kinase type II regulatory 0.0015 0.0154 0.0194
Trichomonas vaginalis CMGC family protein kinase 0.006 0.1788 0.4712
Loa Loa (eye worm) AGC/PKG protein kinase 0.0016 0.0174 0.0154
Echinococcus multilocularis mitogen activated protein kinase 3 0.006 0.1788 0.2564
Schistosoma mansoni hypothetical protein 0.0015 0.0154 0.0194
Plasmodium vivax CAMP-dependent protein kinase regulatory subunit, putative 0.0015 0.0154 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0117 0.3907 0.5636
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0023 0.0438 0.0606
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0126 0.4232 0.422
Plasmodium vivax rap guanine nucleotide exchange factor, putative 0.0015 0.0154 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0266 0.0263
Schistosoma mansoni camp-dependent protein kinase regulatory chain 0.0015 0.0154 0.0194
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.1058 0.1055
Brugia malayi N-terminal motif family protein 0.0015 0.0154 0.0151
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.002 0.0017
Loa Loa (eye worm) hypothetical protein 0.0034 0.0836 0.0817
Loa Loa (eye worm) pax transcription factor protein 2 0.0283 1 1
Onchocerca volvulus 0.0283 1 1
Brugia malayi nuclear hormone receptor 0.0012 0.002 0.0017
Trichomonas vaginalis CMGC family protein kinase 0.006 0.1788 0.4712
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.1563 0.2236
Brugia malayi Cyclic-nucleotide gated cation channel 0.0023 0.0438 0.0436
Schistosoma mansoni voltage-gated potassium channel 0.0034 0.0836 0.1182
Schistosoma mansoni voltage-gated potassium channel 0.0034 0.0836 0.1182
Echinococcus granulosus patatin phospholipase domain containing protein 0.0015 0.0154 0.0194
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0015 0.0154 0.0194
Trichomonas vaginalis CMGC family protein kinase 0.006 0.1788 0.4712
Onchocerca volvulus 0.0015 0.0154 0.0134
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.006 0.1788 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.002 0.0017
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0059 0.1741 0.1738
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0023 0.0438 0.0606
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0016 0.0174 0.0223
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0015 0.0154 0.0194
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1181 0.6607
Echinococcus granulosus cAMP dependent protein kinase regulatory 0.0015 0.0154 0.0194
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.002 0.0017
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0015 0.0154 0.0134
Echinococcus multilocularis voltage gated potassium channel 0.0034 0.0836 0.1182
Loa Loa (eye worm) hypothetical protein 0.0015 0.0154 0.0134
Brugia malayi cAMP-dependent protein kinase regulatory chain, putative 0.0015 0.0154 0.0151
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0117 0.3907 0.3895
Schistosoma mansoni hypothetical protein 0.0019 0.0266 0.0356
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0016 0.0174 0.0223
Schistosoma mansoni voltage-gated potassium channel 0.0023 0.0438 0.0606
Loa Loa (eye worm) hypothetical protein 0.004 0.1058 0.104
Echinococcus granulosus inositol monophosphatase 1 0.0043 0.1181 0.1684
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.002 0.0017
Brugia malayi Inositol-1 0.0043 0.1181 0.1179
Echinococcus multilocularis mitogen activated protein kinase 0.006 0.1788 0.2564
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0023 0.0438 0.0606
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0023 0.0438 0.082
Trypanosoma brucei protein kinase A regulatory subunit 0.0015 0.0154 0.086
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.1563 0.2236
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.006 0.1788 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.002 0.0017
Trypanosoma brucei protein kinase, putative 0.006 0.1788 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0023 0.0438 0.082
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.002 0.0017
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.002 0.0017
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.006 0.1788 0.1772
Echinococcus granulosus cAMP dependent protein kinase type I beta 0.0015 0.0154 0.0194
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1181 0.6287
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0266 0.0356
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.006 0.1788 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0039 0.1014 1
Echinococcus granulosus mitogen activated protein kinase 3 0.006 0.1788 0.2564
Echinococcus granulosus hyperpolarization activated cyclic 0.0023 0.0438 0.0606
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0266 0.0356
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0266 0.0246
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.006 0.1788 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0023 0.0438 0.0606
Echinococcus multilocularis transcription factor eb 0.0127 0.4255 0.614
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.1563 0.2236
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0043 0.1181 1
Schistosoma mansoni serine/threonine protein kinase 0.006 0.1788 0.2564
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1181 0.6287
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0023 0.0438 0.0606
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.1563 0.2236
Echinococcus multilocularis GPCR, family 2 0.0019 0.0266 0.0356
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.006 0.1788 1
Schistosoma mansoni camp-dependent protein kinase type II-alpha regulatory subunit 0.0015 0.0154 0.0194
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.002 0.0017
Schistosoma mansoni serine/threonine protein kinase 0.0016 0.0174 0.0223
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0265 0.0354
Echinococcus granulosus cAMP dependent protein kinase type II regulatory 0.0015 0.0154 0.0194
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.1563 0.1546
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0117 0.3907 0.3906
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.002 0.0017
Schistosoma mansoni hypothetical protein 0.0019 0.0266 0.0356
Trypanosoma brucei Flagellar Member 6 0.0015 0.0154 0.086
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.002 0.0017
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0015 0.0154 0.0194
Echinococcus multilocularis cAMP dependent protein kinase type I beta 0.0015 0.0154 0.0194
Brugia malayi ecdysteroid receptor 0.0012 0.002 0.0017
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0023 0.0438 0.0606
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0023 0.0438 0.0606
Plasmodium falciparum cGMP-dependent protein kinase 0.0016 0.0174 1
Brugia malayi MH2 domain containing protein 0.014 0.475 0.4749
Echinococcus granulosus geminin 0.0199 0.6917 1
Trypanosoma brucei cAMP binding protein, putative 0.0015 0.0154 0.086
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.1181 0.2962
Trypanosoma brucei cAMP response protein 1, putative 0.0015 0.0154 0.086
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0015 0.0154 0.0194
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0015 0.0154 0.0194
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0023 0.0438 0.0419
Schistosoma mansoni similar to Protein C20orf152 homolog 0.0015 0.0154 0.0194
Schistosoma mansoni voltage-gated potassium channel 0.0128 0.4304 0.6212
Schistosoma mansoni hypothetical protein 0.0019 0.0266 0.0356
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.011 0.3623 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.006 0.1788 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0043 0.1181 0.5
Schistosoma mansoni camp-dependent protein kinase type II regulatory subunit 0.0015 0.0154 0.0194
Echinococcus multilocularis patatin phospholipase domain containing protein 0.0015 0.0154 0.0194
Leishmania major protein kinase, putative 0.0016 0.0174 0.0122
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.1181 0.2962
Loa Loa (eye worm) transcription factor SMAD2 0.014 0.475 0.474
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0015 0.0154 0.0194
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.002 0.0017
Trichomonas vaginalis CMGC family protein kinase 0.006 0.1788 0.4712
Brugia malayi Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog 0.0015 0.0154 0.0151
Echinococcus granulosus hyperpolarization activated cyclic 0.0023 0.0438 0.0606
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.002 0.0017
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.1563 0.2236
Schistosoma mansoni hypothetical protein 0.004 0.1058 0.1504
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0023 0.0438 0.0606
Schistosoma mansoni hypothetical protein 0.0199 0.6917 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0023 0.0438 0.0419
Schistosoma mansoni inositol monophosphatase 0.0043 0.1181 0.1684
Brugia malayi steroid hormone receptor 0.0012 0.002 0.0017
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0266 0.0263
Schistosoma mansoni serine/threonine protein kinase 0.0016 0.0174 0.0223
Trichomonas vaginalis inositol monophosphatase, putative 0.0043 0.1181 0.2962
Echinococcus granulosus cGMP dependent protein kinase 1 0.0016 0.0174 0.0223
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.006 0.1788 1
Treponema pallidum cyclic nucleotide binding protein 0.0015 0.0154 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.002 0.0017
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0117 0.3907 0.5636
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1181 0.6287
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0059 0.1741 0.1724
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0034 0.0836 0.1182
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.1563 0.2236
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.0015 0.0154 0.0134
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.002 0.0017
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0023 0.0438 0.0606
Schistosoma mansoni cyclic nucleotide-gated ion channel 0.0015 0.0154 0.0194
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0043 0.1181 0.5
Treponema pallidum cyclic nucleotide binding protein 0.0015 0.0154 0.5
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0127 0.4255 0.4253
Leishmania major protein kinase, putative 0.0016 0.0174 0.0122
Echinococcus granulosus cGMP dependent protein kinase 0.0016 0.0174 0.0223
Loa Loa (eye worm) hypothetical protein 0.0023 0.0438 0.0419
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0043 0.1181 0.6287
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0016 0.0174 0.0122
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0266 0.0356
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0039 0.1014 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.1563 0.156
Onchocerca volvulus 0.0015 0.0154 0.0134
Treponema pallidum catabolite gene activator (Crp) 0.0015 0.0154 0.5
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0015 0.0154 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0266 0.0356
Echinococcus multilocularis cAMP dependent protein kinase regulatory 0.0015 0.0154 0.0194
Treponema pallidum catabolite gene activator 0.0015 0.0154 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0023 0.0438 0.0606
Echinococcus granulosus transcription factor eb 0.0127 0.4255 0.614
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0015 0.0154 0.0194
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.002 0.0017
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0015 0.0154 0.0194
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0034 0.0836 0.1182
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.011 0.3623 1
Brugia malayi MAP kinase sur-1 0.006 0.1788 0.1786
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.006 0.1788 1
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.0015 0.0154 0.0151
Loa Loa (eye worm) MH2 domain-containing protein 0.014 0.475 0.474
Brugia malayi Egg laying defective protein 4 0.0016 0.0174 0.0171
Loa Loa (eye worm) hypothetical protein 0.0059 0.1741 0.1724
Echinococcus multilocularis inositol monophosphatase 1 0.0043 0.1181 0.1684
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0023 0.0438 0.0606
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0015 0.0154 0.0194
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0034 0.0836 0.0833
Echinococcus granulosus voltage gated potassium channel 0.0034 0.0836 0.1182
Brugia malayi nuclear receptor NHR-88 0.0012 0.002 0.0017
Schistosoma mansoni inositol monophosphatase 0.0043 0.1181 0.1684
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0023 0.0438 0.0606
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.002 0.0017
Schistosoma mansoni 60S ribosomal protein L21 0.0018 0.0265 0.0354
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0266 0.0356
Echinococcus granulosus mitogen activated protein kinase 0.006 0.1788 0.2564
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0023 0.0438 0.0606
Schistosoma mansoni voltage-gated potassium channel 0.0128 0.4304 0.6212
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0015 0.0154 0.086
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.1563 0.2236
Echinococcus granulosus GPCR family 2 0.0019 0.0266 0.0356
Giardia lamblia Kinase, CMGC MAPK 0.006 0.1788 1
Echinococcus multilocularis expressed conserved protein 0.0016 0.0174 0.0223
Loa Loa (eye worm) inositol-1 0.0043 0.1181 0.1164
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0015 0.0154 0.086
Loa Loa (eye worm) hypothetical protein 0.0102 0.3336 0.3323
Loa Loa (eye worm) hypothetical protein 0.0126 0.4232 0.422
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0015 0.0154 0.0194

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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