Detailed information for compound 1447764

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 285.427 | Formula: C18H27N3
  • H donors: 1 H acceptors: 0 LogP: 4.14 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H]1CN=C(N1CCCC1CCCC1)Nc1ccccc1
  • InChi: 1S/C18H27N3/c1-15-14-19-18(20-17-11-3-2-4-12-17)21(15)13-7-10-16-8-5-6-9-16/h2-4,11-12,15-16H,5-10,13-14H2,1H3,(H,19,20)/t15-/m0/s1
  • InChiKey: BSCJCWYPYUDPKA-HNNXBMFYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768

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
Toxoplasma gondii aminopeptidase N, putative 0.019 0.0471 1
Schistosoma mansoni ran 0.0026 0.0008 0.0008
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.019 0.0471 0.0471
Trypanosoma cruzi aminopeptidase, putative 0.019 0.0471 1
Echinococcus granulosus aminopeptidase N 0.019 0.0471 0.0471
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.019 0.0471 0.0471
Trypanosoma brucei aminopeptidase, putative 0.019 0.0471 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.019 0.0471 0.0471
Entamoeba histolytica aminopeptidase, putative 0.019 0.0471 1
Toxoplasma gondii ABC1 family protein 0.0043 0.0059 0.1245
Brugia malayi beta-lactamase family protein 0.0043 0.0059 0.0128
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.019 0.0471 1
Trypanosoma cruzi aminopeptidase, putative 0.019 0.0471 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0008 0.0175
Mycobacterium ulcerans aminopeptidase N PepN 0.019 0.0471 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0008 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.019 0.0471 0.0471
Trypanosoma brucei Aminopeptidase M1, putative 0.019 0.0471 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.019 0.0471 1
Entamoeba histolytica Ran family GTPase 0.0026 0.0008 0.0175
Leishmania major hypothetical protein, conserved 0.0043 0.0059 0.1245
Brugia malayi Peptidase family M1 containing protein 0.019 0.0471 0.1031
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0016 0.0331
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0059 0.1245
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.019 0.0471 0.0471
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.019 0.0471 0.0471
Loa Loa (eye worm) hypothetical protein 0.019 0.0471 0.0471
Loa Loa (eye worm) hypothetical protein 0.0035 0.0034 0.0034
Schistosoma mansoni importin beta-1 0.0035 0.0034 0.0034
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0059 0.1245
Loa Loa (eye worm) hypothetical protein 0.019 0.0471 0.0471
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.019 0.0471 0.0471
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.019 0.0471 1
Toxoplasma gondii aminopeptidase n, putative 0.019 0.0471 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0059 0.1245
Loa Loa (eye worm) hypothetical protein 0.0043 0.0059 0.0059
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0034 0.0726
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.019 0.0471 0.0471
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.019 0.0471 1
Loa Loa (eye worm) aminopeptidase N 0.019 0.0471 0.0471
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0034 0.0034
Onchocerca volvulus 0.019 0.0471 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.0059 0.0059
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.019 0.0471 1
Onchocerca volvulus 0.019 0.0471 1
Schistosoma mansoni hypothetical protein 0.0372 0.0984 0.0984
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Plasmodium falciparum importin beta, putative 0.0035 0.0034 0.0726
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0059 0.0814
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.019 0.0471 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.019 0.0471 1
Schistosoma mansoni aminopeptidase A (M01 family) 0.019 0.0471 0.0471
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0719 1
Schistosoma mansoni ran 0.0026 0.0008 0.0008
Echinococcus multilocularis aminopeptidase N 0.019 0.0471 0.0471
Echinococcus granulosus puromycin sensitive aminopeptidase 0.019 0.0471 0.0471
Mycobacterium tuberculosis Conserved protein 0.0043 0.0059 0.0814
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0008 0.0008
Mycobacterium ulcerans hypothetical protein 0.0043 0.0059 0.1245
Mycobacterium leprae Probable lipase LipE 0.0043 0.0059 0.5
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0059 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0059 0.0059
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Mycobacterium ulcerans beta-lactamase 0.0043 0.0059 0.1245
Loa Loa (eye worm) hypothetical protein 0.0043 0.0059 0.0059
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0059 0.0814
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0059 0.0814
Trichomonas vaginalis esterase, putative 0.0043 0.0059 0.1245
Brugia malayi Importin beta-1 subunit 0.0035 0.0034 0.0075
Plasmodium vivax importin-beta 2, putative 0.0035 0.0034 0.0726
Loa Loa (eye worm) TATA binding protein associated factor 0.019 0.0471 0.0471
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0059 0.0128
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0059 0.0814
Trichomonas vaginalis ran, putative 0.0026 0.0008 0.0175
Mycobacterium ulcerans lipase LipD 0.0043 0.0059 0.1245
Trypanosoma brucei Aminopeptidase M1, putative 0.019 0.0471 1
Leishmania major importin beta-1 subunit, putative 0.0028 0.0016 0.0331
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0059 0.1245
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0059 0.1245
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.2698 0.2698
Loa Loa (eye worm) hypothetical protein 0.0043 0.0059 0.0059
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0059 0.0814
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0016 0.0331
Brugia malayi beta-lactamase 0.0043 0.0059 0.0128
Echinococcus granulosus puromycin sensitive aminopeptidase 0.019 0.0471 0.0471
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0059 0.1245
Loa Loa (eye worm) leukotriene A4 hydrolase 0.3568 1 1
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0034 0.0726
Mycobacterium tuberculosis Conserved protein 0.0043 0.0059 0.0814
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0016 0.0331
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.019 0.0471 0.0471
Echinococcus granulosus snurportin 1 0.0372 0.0984 0.0984
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0034 0.0726
Echinococcus granulosus puromycin sensitive aminopeptidase 0.019 0.0471 0.0471
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0016 0.0331
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0059 0.0059
Echinococcus multilocularis snurportin 1 0.0372 0.0984 0.0984
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0059 0.0059
Leishmania major GTP-binding protein, putative 0.0026 0.0008 0.0175
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.019 0.0471 1
Brugia malayi hypothetical protein 0.019 0.0471 0.1031
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0059 0.0814
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.019 0.0471 1
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.019 0.0471 0.0471
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0008 0.0175
Brugia malayi Peptidase family M1 containing protein 0.019 0.0471 0.1031
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.019 0.0471 1
Brugia malayi beta-lactamase family protein 0.0043 0.0059 0.0128
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.019 0.0471 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0008 0.0175
Brugia malayi hypothetical protein 0.164 0.4563 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.019 0.0471 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0008 0.0175
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.019 0.0471 0.0471
Mycobacterium ulcerans aminopeptidase N PepN 0.019 0.0471 1
Brugia malayi Peptidase family M1 containing protein 0.019 0.0471 0.1031
Echinococcus granulosus puromycin sensitive aminopeptidase 0.019 0.0471 0.0471
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0059 0.1245
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0059 0.0814
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.3568 1 1
Brugia malayi TATA binding protein associated factor 0.019 0.0471 0.1031
Onchocerca volvulus 0.019 0.0471 1
Brugia malayi hypothetical protein 0.019 0.0471 0.1031
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.019 0.0471 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0059 0.0059
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0059 0.1245
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.0984 0.0984
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0008 0.0008
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0059 0.1245
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.019 0.0471 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0008 0.0175
Echinococcus multilocularis leukotriene A 4 hydrolase 0.3568 1 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0008 0.0018
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0008 0.0175
Toxoplasma gondii aminopeptidase N protein 0.019 0.0471 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0059 0.0814
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0059 0.1245
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.019 0.0471 0.0471
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0059 0.0059
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.019 0.0471 1
Brugia malayi RNA, U transporter 1 0.0099 0.0215 0.0472
Echinococcus granulosus importin subunit beta 1 0.0035 0.0034 0.0034
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0008 0.0008
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0059 0.1245
Plasmodium falciparum M1-family alanyl aminopeptidase 0.019 0.0471 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.019 0.0471 0.0471
Trypanosoma cruzi Aminopeptidase M1, putative 0.019 0.0471 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0059 0.0059
Entamoeba histolytica hypothetical protein 0.0028 0.0016 0.0331
Loa Loa (eye worm) hypothetical protein 0.0043 0.0059 0.0059
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.019 0.0471 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2592 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 1.1689 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 2.6679 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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