Detailed information for compound 1496841

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 368.516 | Formula: C22H32N4O
  • H donors: 1 H acceptors: 2 LogP: 3.57 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nccn1CCC(=O)N1CCCC(C1)Nc1ccc(cc1)C(C)C
  • InChi: 1S/C22H32N4O/c1-4-21-23-12-15-25(21)14-11-22(27)26-13-5-6-20(16-26)24-19-9-7-18(8-10-19)17(2)3/h7-10,12,15,17,20,24H,4-6,11,13-14,16H2,1-3H3
  • InChiKey: XGIJCIGMZQAHKT-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0021 0.0199 0.0214
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0021 0.0199 0.0214
Loa Loa (eye worm) animal heme peroxidase 0.0055 0.1434 0.1434
Schistosoma mansoni tar DNA-binding protein 0.0046 0.1107 0.1191
Brugia malayi hypothetical protein 0.0016 0.0025 0.0025
Trypanosoma brucei protein kinase, putative 0.0045 0.1073 0.1073
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0021 0.0199 0.0214
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0045 0.1073 0.1073
Loa Loa (eye worm) hypothetical protein 0.0055 0.1434 0.1434
Schistosoma mansoni tyrosine kinase 0.0021 0.0199 0.0214
Loa Loa (eye worm) hypothetical protein 0.0019 0.0122 0.0122
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0043 0.1003 1
Onchocerca volvulus Peroxidasin homolog 0.0055 0.1434 0.4176
Loa Loa (eye worm) hypothetical protein 0.0147 0.4828 0.4828
Loa Loa (eye worm) SRC-1 0.0021 0.0199 0.0199
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0098 0.3033 0.3263
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0122 0.0122
Treponema pallidum exodeoxyribonuclease (exoA) 0.0016 0 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0045 0.1073 0.1073
Schistosoma mansoni nck2/grb4 0.0021 0.0199 0.0214
Onchocerca volvulus 0.0055 0.1434 0.4176
Brugia malayi Blistered cuticle protein 3 0.0055 0.1434 0.1434
Schistosoma mansoni hypothetical protein 0.0019 0.0122 0.0132
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0021 0.0199 0.0214
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0045 0.1073 0.1073
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1638 0.1638
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0021 0.0199 0.0214
Schistosoma mansoni tar DNA-binding protein 0.0046 0.1107 0.1191
Brugia malayi Animal haem peroxidase family protein 0.0055 0.1434 0.1434
Loa Loa (eye worm) hypothetical protein 0.0055 0.1434 0.1434
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0016 0 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0055 0.1434 0.1434
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0045 0.1073 0.3157
Schistosoma mansoni growth factor receptor-bound protein 0.0268 0.9297 1
Echinococcus granulosus prolyl endopeptidase 0.0108 0.34 0.3657
Brugia malayi MAP kinase sur-1 0.0045 0.1073 0.1073
Loa Loa (eye worm) hypothetical protein 0.0016 0.0025 0.0025
Echinococcus multilocularis RUN 0.0016 0.0025 0.0027
Loa Loa (eye worm) hypothetical protein 0.0055 0.1434 0.1434
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0021 0.0199 0.0214
Echinococcus granulosus c src tyrosine kinase 0.0021 0.0199 0.0214
Echinococcus multilocularis mitogen activated protein kinase 0.0045 0.1073 0.1154
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0021 0.0199 0.0214
Echinococcus multilocularis mitogen activated protein kinase 3 0.0045 0.1073 0.1154
Loa Loa (eye worm) TAR-binding protein 0.0046 0.1107 0.1107
Loa Loa (eye worm) hypothetical protein 0.0055 0.1434 0.1434
Brugia malayi Animal haem peroxidase family protein 0.0055 0.1434 0.1434
Echinococcus multilocularis Polycystic kidney disease protein 0.0016 0.0025 0.0027
Echinococcus multilocularis c src tyrosine kinase 0.0021 0.0199 0.0214
Schistosoma mansoni hypothetical protein 0.0041 0.0936 0.1007
Echinococcus granulosus mitogen activated protein kinase 0.0045 0.1073 0.1154
Loa Loa (eye worm) blistered cuticle protein 3 0.0055 0.1434 0.1434
Echinococcus multilocularis NCK adaptor protein 0.0021 0.0199 0.0214
Echinococcus granulosus tyrosine protein kinase Src64B 0.0021 0.0199 0.0214
Echinococcus multilocularis tar DNA binding protein 0.0046 0.1107 0.1191
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0098 0.3033 0.3263
Schistosoma mansoni tyrosine kinase 0.0021 0.0199 0.0214
Echinococcus granulosus tyrosine protein kinase Fyn 0.0021 0.0199 0.0214
Loa Loa (eye worm) hypothetical protein 0.0055 0.1434 0.1434
Brugia malayi RNA recognition motif domain containing protein 0.0046 0.1107 0.1107
Brugia malayi hypothetical protein 0.0016 0.0025 0.0025
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0016 0 0.5
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0043 0.1003 0.1003
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0043 0.1003 0.3364
Echinococcus granulosus tyrosine protein kinase Src42A 0.0021 0.0199 0.0214
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0021 0.0199 0.0214
Echinococcus multilocularis geminin 0.0205 0.6956 0.7482
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0045 0.1073 0.1073
Schistosoma mansoni hypothetical protein 0.0205 0.6956 0.7482
Brugia malayi Variant SH3 domain containing protein 0.0021 0.0199 0.0199
Schistosoma mansoni hypothetical protein 0.0019 0.0122 0.0132
Echinococcus granulosus lipoxygenase domain containing protein 0.0016 0.0025 0.0027
Loa Loa (eye worm) hypothetical protein 0.0055 0.1434 0.1434
Trichomonas vaginalis CMGC family protein kinase 0.0045 0.1073 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0122 0.0132
Brugia malayi TAR-binding protein 0.0046 0.1107 0.1107
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0043 0.1003 0.1003
Brugia malayi RNA binding protein 0.0046 0.1107 0.1107
Echinococcus granulosus geminin 0.0205 0.6956 0.7482
Giardia lamblia Kinase, CMGC MAPK 0.0045 0.1073 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0122 0.0132
Schistosoma mansoni rab6-interacting 0.0016 0.0025 0.0027
Loa Loa (eye worm) RNA binding protein 0.0046 0.1107 0.1107
Onchocerca volvulus Peroxidasin homolog 0.0055 0.1434 0.4176
Trypanosoma cruzi oligopeptidase b 0.0043 0.1003 0.1003
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1638 0.1638
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.1073 0.1154
Echinococcus granulosus tyrosine protein kinase Lyn 0.0022 0.0214 0.023
Schistosoma mansoni hypothetical protein 0.0205 0.6956 0.7482
Trichomonas vaginalis CMGC family protein kinase 0.0045 0.1073 1
Trypanosoma brucei prolyl endopeptidase 0.0108 0.34 0.34
Onchocerca volvulus Peroxidase homolog 0.0055 0.1434 0.4176
Echinococcus multilocularis peroxidasin 0.0055 0.1434 0.1542
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0122 0.0122
Schistosoma mansoni polycystin 1-related 0.0016 0.0025 0.0027
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0021 0.0199 0.0214
Echinococcus granulosus RUN 0.0016 0.0025 0.0027
Mycobacterium tuberculosis Probable peptidase 0.0043 0.1003 0.3364
Brugia malayi Tyrosine-protein kinase abl-1 0.0021 0.0199 0.0199
Echinococcus granulosus Polycystic kidney disease protein 0.0016 0.0025 0.0027
Schistosoma mansoni hypothetical protein 0.0019 0.0122 0.0132
Schistosoma mansoni lipoxygenase 0.0069 0.1946 0.2093
Schistosoma mansoni tar DNA-binding protein 0.0046 0.1107 0.1191
Onchocerca volvulus Chorion peroxidase homolog 0.0055 0.1434 0.4176
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0021 0.0199 0.0214
Schistosoma mansoni peroxidasin 0.0055 0.1434 0.1542
Trypanosoma brucei C-8 sterol isomerase, putative 0.0287 1 1
Echinococcus multilocularis prolyl endopeptidase 0.0108 0.34 0.3657
Loa Loa (eye worm) hypothetical protein 0.006 0.1638 0.1638
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0045 0.1073 0.1073
Schistosoma mansoni tar DNA-binding protein 0.0046 0.1107 0.1191
Schistosoma mansoni peroxidasin 0.0055 0.1434 0.1542
Echinococcus granulosus growth factor receptor bound protein 2 0.0268 0.9297 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.1434 0.1434
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0045 0.1073 0.1073
Brugia malayi hypothetical protein 0.0055 0.1434 0.1434
Brugia malayi Doublecortin family protein 0.0016 0.0025 0.0025
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0268 0.9297 0.9297
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0045 0.1073 0.1073
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0043 0.1003 0.1003
Echinococcus multilocularis tyrosine protein kinase Abl 0.0021 0.0199 0.0214
Schistosoma mansoni hypothetical protein 0.0019 0.0122 0.0132
Brugia malayi prolyl oligopeptidase family protein 0.0108 0.34 0.34
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0287 1 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0122 0.0132
Loa Loa (eye worm) hypothetical protein 0.0055 0.1434 0.1434
Echinococcus multilocularis growth factor receptor bound protein 2 0.0268 0.9297 1
Loa Loa (eye worm) hypothetical protein 0.0287 1 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0043 0.1003 0.5
Schistosoma mansoni tyrosine kinase 0.0021 0.0199 0.0214
Plasmodium vivax multidomain scavenger receptor, putative 0.0016 0.0025 1
Loa Loa (eye worm) doublecortin family protein 0.0016 0.0025 0.0025
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0043 0.1003 0.1003
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0122 0.0122
Loa Loa (eye worm) hypothetical protein 0.0041 0.0936 0.0936
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0108 0.34 0.3657
Loa Loa (eye worm) hypothetical protein 0.0016 0.0025 0.0025
Onchocerca volvulus 0.0055 0.1434 0.4176
Echinococcus granulosus tyrosine protein kinase Fyn 0.0021 0.0199 0.0214
Schistosoma mansoni tyrosine kinase 0.0021 0.0199 0.0214
Echinococcus multilocularis lipoxygenase domain containing protein 0.0016 0.0025 0.0027
Echinococcus multilocularis lipoxygenase domain containing protein 0.0016 0.0025 0.0027
Trichomonas vaginalis CMGC family protein kinase 0.0045 0.1073 1
Schistosoma mansoni lipoxygenase 0.0098 0.3033 0.3263
Schistosoma mansoni growth factor receptor-bound protein 0.0268 0.9297 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0021 0.0199 0.0214
Schistosoma mansoni hypothetical protein 0.0016 0.0025 0.0027
Loa Loa (eye worm) hypothetical protein 0.0108 0.34 0.34
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0122 0.0132
Loa Loa (eye worm) hypothetical protein 0.0021 0.0199 0.0199
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0045 0.1073 0.1073
Toxoplasma gondii prolyl endopeptidase 0.0108 0.34 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.1434 0.1434
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0046 0.1107 0.1107
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0021 0.0199 0.0214
Echinococcus granulosus tyrosine protein kinase Fyn 0.0021 0.0199 0.0214
Leishmania major C-8 sterol isomerase-like protein 0.0287 1 1
Onchocerca volvulus 0.0055 0.1434 0.4176
Trypanosoma cruzi prolyl endopeptidase 0.0108 0.34 0.34
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0021 0.0199 0.0214
Onchocerca volvulus Prolyl endopeptidase homolog 0.0108 0.34 1
Loa Loa (eye worm) animal heme peroxidase 0.0055 0.1434 0.1434
Loa Loa (eye worm) hypothetical protein 0.0055 0.1434 0.1434
Brugia malayi Animal haem peroxidase family protein 0.0055 0.1434 0.1434
Brugia malayi Peroxidasin 0.0055 0.1434 0.1434
Echinococcus granulosus peroxidasin 0.0055 0.1434 0.1542
Echinococcus granulosus GPCR family 2 0.0019 0.0122 0.0132
Echinococcus granulosus NCK adaptor protein 0.0021 0.0199 0.0214
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0108 0.34 0.3657
Loa Loa (eye worm) hypothetical protein 0.0055 0.1434 0.1434
Brugia malayi Animal haem peroxidase family protein 0.0055 0.1434 0.1434
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0108 0.34 0.34
Brugia malayi Animal haem peroxidase family protein 0.0055 0.1434 0.1434
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0936 0.0936
Onchocerca volvulus Dual oxidase homolog 0.0055 0.1434 0.4176
Loa Loa (eye worm) hypothetical protein 0.0055 0.1434 0.1434
Loa Loa (eye worm) hypothetical protein 0.0055 0.1434 0.1434
Brugia malayi Sex muscle abnormal protein 5 0.0268 0.9297 0.9297
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0021 0.0199 0.0214
Brugia malayi Variant SH3 domain containing protein 0.0021 0.0199 0.0199
Schistosoma mansoni loxhd1 0.0016 0.0025 0.0027
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0021 0.0199 0.0214
Brugia malayi SRC-1 0.0021 0.0199 0.0199
Leishmania major oligopeptidase b 0.0043 0.1003 0.1003
Echinococcus granulosus mitogen activated protein kinase 3 0.0045 0.1073 0.1154
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1638 0.1638
Trypanosoma cruzi oligopeptidase b 0.0043 0.1003 0.1003
Schistosoma mansoni adapter molecule crk 0.0021 0.0199 0.0214
Echinococcus granulosus tar DNA binding protein 0.0046 0.1107 0.1191
Loa Loa (eye worm) animal heme peroxidase 0.0055 0.1434 0.1434
Plasmodium falciparum LCCL domain-containing protein 0.0016 0.0025 1
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0021 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0055 0.1434 0.1434
Onchocerca volvulus Peroxidase homolog 0.0055 0.1434 0.4176
Echinococcus granulosus lipoxygenase domain containing protein 0.0016 0.0025 0.0027
Schistosoma mansoni rab6-interacting 0.0016 0.0025 0.0027
Trichomonas vaginalis CMGC family protein kinase 0.0045 0.1073 1
Trypanosoma brucei prolyl oligopeptidase, putative 0.0043 0.1003 0.1003
Schistosoma mansoni tar DNA-binding protein 0.0046 0.1107 0.1191
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0097 0.2982 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0122 0.0132
Trypanosoma brucei oligopeptidase b 0.0043 0.1003 0.1003

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.5849 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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