Detailed information for compound 1793447

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 301.168 | Formula: C13H14Cl2N2O2
  • H donors: 1 H acceptors: 2 LogP: 2.84 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=O)[C@H]2N([C@H]1c1ccccc1Cl)CCC2.Cl
  • InChi: 1S/C13H13ClN2O2.ClH/c14-9-5-2-1-4-8(9)11-13(18)15-12(17)10-6-3-7-16(10)11;/h1-2,4-5,10-11H,3,6-7H2,(H,15,17,18);1H/t10-,11-;/m0./s1
  • InChiKey: KEXXWFXZRZAOFX-ACMTZBLWSA-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
Echinococcus multilocularis transcription factor Dp 1 0.0228 0.0843 0.0916
Loa Loa (eye worm) hypothetical protein 0.0055 0.0076 0.0084
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.2101 0.9111 1
Trichomonas vaginalis cyclin B, putative 0.0277 0.1059 0.0768
Echinococcus granulosus transcription factor Dp 1 0.0228 0.0843 0.0916
Echinococcus granulosus tyrosine kinase 0.0266 0.1008 0.1097
Loa Loa (eye worm) hypothetical protein 0.0277 0.1059 0.1162
Echinococcus granulosus tyrosine kinase 0.0044 0.0029 0.0021
Loa Loa (eye worm) TK/FER protein kinase 0.0044 0.0029 0.0031
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0394 0.1576 0.0643
Brugia malayi SH2 domain containing protein 0.0044 0.0029 0.0031
Loa Loa (eye worm) cyclin domain-containing protein 0.0126 0.0389 0.0427
Brugia malayi Cyclin, N-terminal domain containing protein 0.0277 0.1059 0.1162
Schistosoma mansoni tyrosine kinase 0.0294 0.1131 0.1241
Trichomonas vaginalis cyclins, putative 0.0182 0.0638 0.0285
Brugia malayi Variant SH3 domain containing protein 0.0061 0.0106 0.0116
Trypanosoma cruzi cdc2-related kinase 1 0.2101 0.9111 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0255 0.0962 0.1046
Echinococcus multilocularis geminin 0.0186 0.0656 0.0711
Echinococcus granulosus c src tyrosine kinase 0.0072 0.0152 0.0157
Onchocerca volvulus 0.005 0.0057 0.0277
Entamoeba histolytica cyclin, putative 0.0126 0.0389 0.0417
Echinococcus granulosus cyclin B3 1 0.0126 0.0389 0.0417
Echinococcus multilocularis cyclins 0.0126 0.0389 0.0417
Echinococcus multilocularis cyclin dependent kinase 1 0.2101 0.9111 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0294 0.1131 0.1232
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0294 0.1131 0.1232
Schistosoma mansoni hypothetical protein 0.004 0.0009 0.001
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0294 0.1131 0.1232
Loa Loa (eye worm) hypothetical protein 0.0152 0.0504 0.0553
Echinococcus granulosus tyrosine protein kinase Src42A 0.0294 0.1131 0.1232
Echinococcus granulosus tyrosine protein kinase Src64B 0.0294 0.1131 0.1232
Echinococcus multilocularis traf and tnf receptor associated protein 0.0363 0.1438 0.157
Echinococcus granulosus cyclin dependent kinase 0.2101 0.9111 1
Echinococcus granulosus traf and tnf receptor associated protein 0.0363 0.1438 0.157
Echinococcus multilocularis growth factor receptor bound protein 2 0.0061 0.0106 0.0106
Brugia malayi Tyrosine-protein kinase abl-1 0.0072 0.0152 0.0167
Entamoeba histolytica cell division protein kinase 2, putative 0.2101 0.9111 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0294 0.1131 0.1232
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0394 0.1576 0.1722
Echinococcus granulosus tyrosine protein kinase Fyn 0.0294 0.1131 0.1232
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.2101 0.9111 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0394 0.1576 0.0643
Trypanosoma brucei cdc2-related kinase 1 0.2101 0.9111 1
Schistosoma mansoni cyclins 0.0126 0.0389 0.0427
Echinococcus granulosus tyrosine protein kinase Fyn 0.0294 0.1131 0.1232
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0072 0.0152 0.0157
Mycobacterium ulcerans haloalkane dehalogenase 0.2302 1 0.5
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0358 0.1414 0.1552
Brugia malayi Cyclin, N-terminal domain containing protein 0.0277 0.1059 0.1162
Schistosoma mansoni cyclin B3 0.0126 0.0389 0.0427
Schistosoma mansoni tyrosine kinase 0.0072 0.0152 0.0167
Entamoeba histolytica cyclin, putative 0.0277 0.1059 0.1153
Trypanosoma brucei cdc2-related kinase 3 0.2101 0.9111 1
Echinococcus granulosus cyclin dependent kinase 1 0.2101 0.9111 1
Schistosoma mansoni adapter molecule crk 0.0061 0.0106 0.0116
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0126 0.0389 0.0417
Loa Loa (eye worm) hypothetical protein 0.0044 0.0029 0.0031
Trypanosoma cruzi cdc2-related kinase 3 0.2101 0.9111 1
Schistosoma mansoni serine/threonine protein kinase 0.2101 0.9111 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0266 0.1008 0.1097
Loa Loa (eye worm) TK/FER protein kinase 0.0044 0.0029 0.0031
Loa Loa (eye worm) TK/ABL protein kinase 0.0044 0.0029 0.0031
Echinococcus granulosus tyrosine protein kinase Lyn 0.0316 0.123 0.1341
Echinococcus multilocularis NCK adaptor protein 0.0061 0.0106 0.0106
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0061 0.0106 0.0116
Loa Loa (eye worm) TK/FER protein kinase 0.0044 0.0029 0.0031
Trypanosoma cruzi cdc2-related kinase 1 0.2101 0.9111 1
Echinococcus granulosus geminin 0.0186 0.0656 0.0711
Schistosoma mansoni growth factor receptor-bound protein 0.0061 0.0106 0.0116
Brugia malayi Cyclin, N-terminal domain containing protein 0.0126 0.0389 0.0427
Brugia malayi Protein kinase domain containing protein 0.0044 0.0029 0.0031
Brugia malayi SH2 domain containing protein 0.0044 0.0029 0.0031
Brugia malayi hypothetical protein 0.0044 0.0029 0.0031
Schistosoma mansoni tyrosine kinase 0.0216 0.0787 0.0864
Echinococcus multilocularis tyrosine protein kinase Abl 0.0072 0.0152 0.0157
Giardia lamblia Kinase, CMGC CDK 0.2101 0.9111 1
Plasmodium falciparum protein kinase 5 0.2101 0.9111 1
Giardia lamblia Kinase, CMGC CDK 0.2101 0.9111 1
Loa Loa (eye worm) SRC-1 0.0294 0.1131 0.1241
Schistosoma mansoni nck2/grb4 0.0061 0.0106 0.0116
Brugia malayi hypothetical protein 0.004 0.0009 0.001
Schistosoma mansoni growth factor receptor-bound protein 0.0061 0.0106 0.0116
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.2101 0.9111 1
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0126 0.0389 0.0417
Schistosoma mansoni hypothetical protein 0.0186 0.0656 0.0721
Brugia malayi Protein kinase domain containing protein 0.0257 0.0968 0.1062
Trichomonas vaginalis CMGC family protein kinase 0.2101 0.9111 1
Echinococcus granulosus tyrosine protein kinase ABL1 0.0044 0.0029 0.0021
Loa Loa (eye worm) TK/FAK protein kinase 0.0257 0.0968 0.1062
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0294 0.1131 0.1232
Brugia malayi cell division control protein 2 homolog 0.2101 0.9111 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0394 0.1576 0.1722
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0394 0.1576 0.1722
Trichomonas vaginalis cyclin A, putative 0.0277 0.1059 0.0768
Entamoeba histolytica cell division protein kinase 2, putative 0.2101 0.9111 1
Loa Loa (eye worm) hypothetical protein 0.2078 0.9012 0.9891
Trichomonas vaginalis cyclins, putative 0.0277 0.1059 0.0768
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.2101 0.9111 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0394 0.1576 0.173
Brugia malayi Variant SH3 domain containing protein 0.0061 0.0106 0.0116
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0294 0.1131 0.1232
Schistosoma mansoni serine/threonine protein kinase 0.2101 0.9111 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0106 0.0116
Schistosoma mansoni cyclin B 0.0277 0.1059 0.1162
Echinococcus granulosus tyrosine protein kinase Srms 0.0044 0.0029 0.0021
Echinococcus multilocularis tyrosine protein kinase shark 0.0249 0.0935 0.1017
Echinococcus multilocularis cyclins 0.0126 0.0389 0.0417
Loa Loa (eye worm) TK/FER protein kinase 0.0044 0.0029 0.0031
Echinococcus multilocularis tyrosine kinase 0.0044 0.0029 0.0021
Loa Loa (eye worm) TK/FER protein kinase 0.0044 0.0029 0.0031
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0076 0.0084
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0044 0.0029 0.0021
Echinococcus granulosus cyclins 0.0126 0.0389 0.0417
Echinococcus granulosus tyrosine protein kinase Fyn 0.0294 0.1131 0.1232
Trichomonas vaginalis cyclins, putative 0.0277 0.1059 0.0768
Brugia malayi protein-tyrosine kinase 0.0266 0.1008 0.1106
Echinococcus multilocularis cyclin dependent kinase 0.2101 0.9111 1
Trypanosoma cruzi cdc2-related kinase 3 0.2101 0.9111 1
Echinococcus multilocularis cyclins 0.0126 0.0389 0.0417
Echinococcus granulosus tyrosine protein kinase Blk 0.0266 0.1008 0.1097
Echinococcus granulosus tyrosine protein kinase HCK 0.0232 0.086 0.0935
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.2101 0.9111 1
Loa Loa (eye worm) TK/FER protein kinase 0.0044 0.0029 0.0031
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0294 0.1131 0.1232
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0076 0.0084
Trichomonas vaginalis cyclins, putative 0.0277 0.1059 0.0768
Brugia malayi Protein kinase domain containing protein 0.0044 0.0029 0.0031
Trichomonas vaginalis cyclin B, putative 0.0277 0.1059 0.0768
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0266 0.1008 0.1097
Trichomonas vaginalis CMGC family protein kinase 0.2101 0.9111 1
Loa Loa (eye worm) TK protein kinase 0.0232 0.086 0.0944
Trichomonas vaginalis cyclin B, putative 0.0277 0.1059 0.0768
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0061 0.0106 0.0116
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0394 0.1576 0.0643
Echinococcus multilocularis tyrosine protein kinase Srms 0.0266 0.1008 0.1097
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0044 0.0029 0.0021
Brugia malayi Protein kinase domain containing protein 0.2101 0.9111 1
Echinococcus multilocularis cyclin b3 0.0126 0.0389 0.0417
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0076 0.0084
Echinococcus multilocularis cyclins 0.0126 0.0389 0.0417
Trichomonas vaginalis CMGC family protein kinase 0.2101 0.9111 1
Schistosoma mansoni tyrosine kinase 0.0254 0.0955 0.1048
Schistosoma mansoni hypothetical protein 0.0186 0.0656 0.0721
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0072 0.0152 0.0157
Echinococcus multilocularis tyrosine protein kinase HCK 0.0232 0.086 0.0935
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0044 0.0029 0.0021
Brugia malayi Protein kinase domain containing protein 0.0044 0.0029 0.0031
Schistosoma mansoni serine/threonine protein kinase 0.0038 0.0004 0.0004
Trichomonas vaginalis cyclins, putative 0.0277 0.1059 0.0768
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0294 0.1131 0.1232
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.2101 0.9111 1
Entamoeba histolytica cyclin family protein 0.0126 0.0389 0.0417
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0061 0.0106 0.0116
Echinococcus granulosus cyclin B 0.0277 0.1059 0.1153
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0072 0.0152 0.0167
Echinococcus multilocularis cyclin B3 1 0.0126 0.0389 0.0417
Echinococcus granulosus tyrosine protein kinase shark 0.0249 0.0935 0.1017
Entamoeba histolytica cyclin family protein 0.0126 0.0389 0.0417
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0394 0.1576 0.173
Echinococcus granulosus cyclins 0.0126 0.0389 0.0417
Trichomonas vaginalis cyclin B, putative 0.0277 0.1059 0.0768
Loa Loa (eye worm) TK/FER protein kinase 0.0044 0.0029 0.0031
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0394 0.1576 0.0643
Giardia lamblia G2/mitotic-specific cyclin B 0.0277 0.1059 0.0768
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0255 0.0962 0.1046
Echinococcus granulosus NCK adaptor protein 0.0061 0.0106 0.0106
Loa Loa (eye worm) TK protein kinase 0.0266 0.1008 0.1106
Echinococcus multilocularis c src tyrosine kinase 0.0072 0.0152 0.0157
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0044 0.0029 0.0021
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0294 0.1131 0.1232
Echinococcus granulosus cyclin b3 0.0126 0.0389 0.0417
Plasmodium vivax protein kinase Crk2 0.2101 0.9111 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0044 0.0029 0.0031
Loa Loa (eye worm) cyclin domain-containing protein 0.0258 0.0976 0.1071
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0009 0.001
Brugia malayi Cyclin, N-terminal domain containing protein 0.0258 0.0976 0.1071
Echinococcus multilocularis cyclin dependent kinase 5 0.2101 0.9111 1
Schistosoma mansoni tyrosine kinase 0.0294 0.1131 0.1241
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0294 0.1131 0.1232
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0363 0.1438 0.1578
Loa Loa (eye worm) TK/FER protein kinase 0.0044 0.0029 0.0031
Brugia malayi Protein kinase domain containing protein 0.0044 0.0029 0.0031
Echinococcus granulosus cyclin dependent kinase 5 0.2101 0.9111 1
Schistosoma mansoni tyrosine kinase 0.0072 0.0152 0.0167
Echinococcus multilocularis cyclin B 0.0277 0.1059 0.1153
Echinococcus multilocularis cyclins 0.0126 0.0389 0.0417
Echinococcus granulosus protein tyrosine kinase 0.0254 0.0955 0.1039
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0056 0.0082 0.008
Loa Loa (eye worm) hypothetical protein 0.0277 0.1059 0.1162
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0294 0.1131 0.1232
Echinococcus multilocularis cyclins 0.0126 0.0389 0.0417
Loa Loa (eye worm) TK/FER protein kinase 0.0044 0.0029 0.0031
Schistosoma mansoni tyrosine kinase 0.0249 0.0935 0.1026
Schistosoma mansoni tyrosine kinase 0.0044 0.0029 0.0031
Echinococcus granulosus growth factor receptor bound protein 2 0.0061 0.0106 0.0106
Echinococcus multilocularis cyclin dependent kinase 1 0.2101 0.9111 1
Entamoeba histolytica protein kinase, putative 0.0232 0.086 0.0935
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0352 0.1391 0.1282
Echinococcus granulosus cyclins 0.0126 0.0389 0.0417
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.2101 0.9111 1
Brugia malayi Sex muscle abnormal protein 5 0.0061 0.0106 0.0116
Entamoeba histolytica protein kinase, putative 0.0056 0.0082 0.008
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0394 0.1576 0.173
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0266 0.1008 0.1097
Onchocerca volvulus 0.0277 0.1059 1
Brugia malayi Protein kinase domain containing protein 0.0044 0.0029 0.0031
Echinococcus granulosus cyclins 0.0126 0.0389 0.0417
Echinococcus multilocularis protein tyrosine kinase 0.0254 0.0955 0.1039
Brugia malayi SRC-1 0.0294 0.1131 0.1241
Echinococcus granulosus cyclins 0.0126 0.0389 0.0417
Echinococcus multilocularis cyclins 0.0126 0.0389 0.0417

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Anticonvulsant activity in albino mouse assessed as protection against maximal electroshock-induced seizures at 100 mg/kg, ip after 4 hrs ChEMBL. 24095092
Activity (ADMET) Neurotoxicity in albino mouse assessed as minimal motor impairment at 100 mg/kg, ip after 0.5 hrs by rotorod test ChEMBL. 24095092
Activity (functional) Anticonvulsant activity in albino mouse assessed as protection against subcutaneous metrazole-induced seizures at 100 mg/kg, ip after 1 hr ChEMBL. 24095092
Activity (functional) Anticonvulsant activity in albino mouse assessed as protection against maximal electroshock-induced seizures at 100 mg/kg, ip after 0.5 hrs ChEMBL. 24095092
Activity (functional) Anticonvulsant activity in albino mouse assessed as protection against subcutaneous metrazole-induced seizures at 100 mg/kg, ip after 4 hrs ChEMBL. 24095092
Activity (functional) Anticonvulsant activity in albino mouse assessed as protection against subcutaneous metrazole-induced seizures at 100 mg/kg, ip after 0.5 hrs ChEMBL. 24095092
Activity (functional) Anticonvulsant activity in albino mouse assessed as protection against maximal electroshock-induced seizures at 100 mg/kg, ip after 0.25 hrs ChEMBL. 24095092
Activity (functional) Anticonvulsant activity in albino mouse assessed as protection against subcutaneous metrazole-induced seizures at 100 mg/kg, ip after 0.25 hrs ChEMBL. 24095092
Activity (ADMET) Neurotoxicity in albino mouse assessed as minimal motor impairment at 100 mg/kg, ip after 0.25 hrs by rotorod test ChEMBL. 24095092
Activity (functional) Anticonvulsant activity in albino mouse assessed as protection against maximal electroshock-induced seizures at 100 mg/kg, ip after 1 hr ChEMBL. 24095092
Activity (ADMET) Neurotoxicity in albino mouse assessed as minimal motor impairment at 100 mg/kg, ip after 4 hrs by rotorod test ChEMBL. 24095092
Activity (ADMET) Neurotoxicity in albino mouse assessed as minimal motor impairment at 100 mg/kg, ip after 1 hr by rotorod test ChEMBL. 24095092
Activity (functional) Anticonvulsant activity in albino mouse assessed as protection against subcutaneous metrazole-induced seizures at 300 mg/kg, ip after 0.5 hrs ChEMBL. 24095092

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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