Detailed information for compound 1404869

Basic information

Technical information
  • TDR Targets ID: 1404869
  • Name: 4,8-dimethyl-2-pyrrolidin-1-ylquinoline
  • MW: 226.317 | Formula: C15H18N2
  • H donors: 0 H acceptors: 1 LogP: 3.86 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc2c1nc(cc2C)N1CCCC1
  • InChi: 1S/C15H18N2/c1-11-6-5-7-13-12(2)10-14(16-15(11)13)17-8-3-4-9-17/h5-7,10H,3-4,8-9H2,1-2H3
  • InChiKey: JFXGOELTARHIOR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4,8-dimethyl-2-pyrrolidin-1-yl-quinoline
  • 4,8-dimethyl-2-1-pyrrolidinylquinoline
  • 4,8-dimethyl-2-(1-pyrrolidinyl)quinoline
  • MLS000764184
  • SMR000335006
  • 3N-594S
  • Oprea1_726921

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical 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
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 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
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Plasmodium yoelii putative AP endonuclease-related 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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 major apurinic/apyrimidinic endonuclease-redox protein 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative 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
Cryptosporidium parvum conserved hypothetical protein 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Trichomonas vaginalis ap endonuclease, putative 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic 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 ko:K10771 AP endonuclease 1, 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
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 SAM and MBT domain containing protein 0.0058 0.0258 0.019
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0069 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0091 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0219 0.0219
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0069 0.1581
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0091 0.0022
Schistosoma mansoni alpha glucosidase 0.0036 0.0091 0.0022
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0258 0.0243
Brugia malayi Cytochrome P450 family protein 0.0035 0.0084 0.0084
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0091 0.5
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0069 0.0071
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.1062 0.1049
Loa Loa (eye worm) MBCTL1 0.0066 0.0319 0.0325
Loa Loa (eye worm) hypothetical protein 0.0033 0.0069 0.0071
Echinococcus multilocularis pyruvate kinase 0.0033 0.0069 0.0054
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0069 0.0071
Echinococcus granulosus lysosomal alpha glucosidase 0.0162 0.1062 0.1
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0069 0.0069
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0091 1
Brugia malayi mbt repeat family protein 0.0058 0.0258 0.0258
Echinococcus granulosus potassium voltage gated channel subfamily KQT 0.0544 0.401 0.3969
Mycobacterium leprae Probable pyruvate kinase PykA 0.0033 0.0069 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0091 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0162 0.1062 0.1062
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0091 1
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0091 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0091 0.0075
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0219 0.0223
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0069 0.0069
Schistosoma mansoni hypothetical protein 0.0036 0.0091 0.0022
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0091 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0164 0.0096
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0319 0.0319
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.1062 0.1049
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0164 0.0167
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0319 0.0252
Loa Loa (eye worm) hypothetical protein 0.0036 0.0091 0.0093
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0258 0.0243
Loa Loa (eye worm) voltage-gated potassium channel 0.1297 0.9816 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0258 0.0263
Echinococcus multilocularis pyruvate kinase 0.0033 0.0069 0.0054
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0091 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0091 0.0091
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0219 0.0219
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0319 0.0252
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0258 0.019
Loa Loa (eye worm) cytochrome P450 family protein 0.0035 0.0084 0.0086
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0319 0.0305
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0091 1
Plasmodium falciparum pyruvate kinase 0.0033 0.0069 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.0319 0.0325
Loa Loa (eye worm) hypothetical protein 0.0053 0.0219 0.0223
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0164 0.0096
Leishmania major pyruvate kinase 0.0033 0.0069 0.7637
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0258 0.019
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0162 0.1062 0.1082
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0069 0.7637
Mycobacterium ulcerans ion transport protein 0.0081 0.0438 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0069 0.7637
Onchocerca volvulus 0.0094 0.0536 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0164 0.0096
Leishmania major pyruvate kinase 0.0033 0.0069 0.7637
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0319 0.0252
Schistosoma mansoni hypothetical protein 0.0355 0.255 0.2498
Giardia lamblia Pyruvate kinase 0.0033 0.0069 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0164 0.0149
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0258 0.019
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0069 0.7637
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0091 0.0092
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0091 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0164 0.0149
Trypanosoma brucei glucosidase, putative 0.0036 0.0091 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0232 0.16 0.1587
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0544 0.401 0.4085
Loa Loa (eye worm) hypothetical protein 0.0544 0.401 0.4085
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0091 0.0091
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0091 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0164 0.0096
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0232 0.16 0.1541
Schistosoma mansoni alpha-glucosidase 0.0139 0.0888 0.0825
Schistosoma mansoni alpha-glucosidase 0.0139 0.0888 0.0825
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0258 0.019
Loa Loa (eye worm) hypothetical protein 0.0544 0.401 0.4085
Brugia malayi mbt repeat family protein 0.0058 0.0258 0.0258
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0069 0.0071
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0164 0.0164
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0069 0.7637
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0258 0.0263
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0091 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0091 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0091 1
Onchocerca volvulus 0.0058 0.0258 0.4044
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0069 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0544 0.401 0.4001
Chlamydia trachomatis pyruvate kinase 0.0033 0.0069 0.5
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0258 0.4044
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0319 0.0305
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0091 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0164 0.0096

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0398 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 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) 56.2341 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.