Detailed information for compound 286285

Basic information

Technical information
  • TDR Targets ID: 286285
  • Name: 2-(pyrrolidin-1-ylmethyl)-4-(quinolin-2-ylami no)phenol
  • MW: 319.4 | Formula: C20H21N3O
  • H donors: 2 H acceptors: 2 LogP: 4.03 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1CN1CCCC1)Nc1ccc2c(n1)cccc2
  • InChi: 1S/C20H21N3O/c24-19-9-8-17(13-16(19)14-23-11-3-4-12-23)21-20-10-7-15-5-1-2-6-18(15)22-20/h1-2,5-10,13,24H,3-4,11-12,14H2,(H,21,22)
  • InChiKey: XCODYUGQODBKJT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(pyrrolidin-1-ylmethyl)-4-(2-quinolylamino)phenol
  • 2-(1-pyrrolidinylmethyl)-4-(2-quinolylamino)phenol
  • 2-(pyrrolidinomethyl)-4-(2-quinolylamino)phenol

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 tissue type plasminogen activator 0.0064 0.0315 0.0314
Schistosoma mansoni integrin alpha 0.0079 0.0409 0.0408
Brugia malayi Fibulin-1 precursor 0.0016 0.0001 0.0001
Echinococcus multilocularis integrin alpha ps 0.0035 0.0126 0.0125
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0613 0.3892 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.003 0.0091 0.009
Loa Loa (eye worm) hypothetical protein 0.0073 0.0372 0.037
Loa Loa (eye worm) PAN domain-containing protein 0.0073 0.037 0.0369
Leishmania major hypothetical protein, conserved 0.0064 0.0315 0.0432
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0175 0.1035 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0097 0.0096
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0097 0.0096
Echinococcus multilocularis integrin alpha 3 0.006 0.0289 0.0288
Brugia malayi Trypsin family protein 0.0031 0.0097 0.0097
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0031 0.0097 0.0096
Echinococcus granulosus tissue type plasminogen activator 0.0064 0.0315 0.0314
Schistosoma mansoni hypothetical protein 0.003 0.0091 0.009
Brugia malayi hypothetical protein 0.0031 0.0097 0.0097
Loa Loa (eye worm) PAN domain-containing protein 0.0073 0.037 0.0369
Echinococcus multilocularis enteropeptidase 0.0031 0.0097 0.0096
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0073 0.037 0.0799
Echinococcus granulosus glycoprotein Antigen 5 0.0031 0.0097 0.0096
Echinococcus multilocularis mitogen activated protein kinase 0.004 0.0154 0.0153
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0064 0.0315 0.081
Echinococcus granulosus integrin alpha 3 0.006 0.0289 0.0288
Schistosoma mansoni hypothetical protein 0.0056 0.0259 0.0258
Echinococcus granulosus mitogen activated protein kinase 3 0.004 0.0154 0.0153
Toxoplasma gondii microneme protein MIC17C 0.0073 0.037 0.0799
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.1549 1 0.5
Onchocerca volvulus 0.0138 0.0794 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.004 0.0154 0.0332
Brugia malayi PAN domain containing protein 0.0073 0.037 0.037
Schistosoma mansoni hypothetical protein 0.003 0.0091 0.009
Loa Loa (eye worm) hypothetical protein 0.006 0.0284 0.0283
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0031 0.0097 0.0096
Schistosoma mansoni hypothetical protein 0.0017 0.0006 0.0005
Onchocerca volvulus 0.0073 0.037 0.4647
Loa Loa (eye worm) integrin alpha pat-2 0.0121 0.0688 0.0687
Loa Loa (eye worm) TK/ROR protein kinase 0.0064 0.0315 0.0314
Loa Loa (eye worm) hypothetical protein 0.0073 0.037 0.0369
Loa Loa (eye worm) hypothetical protein 0.0073 0.037 0.0369
Brugia malayi PAN domain containing protein 0.0073 0.037 0.037
Onchocerca volvulus 0.0073 0.037 0.4647
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0123 0.07 0.0699
Onchocerca volvulus 0.0073 0.037 0.4647
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0613 0.3892 1
Echinococcus multilocularis nmda type glutamate receptor 0.0051 0.0231 0.023
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0613 0.3892 1
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0031 0.0097 0.0096
Toxoplasma gondii calcium binding egf domain-containing protein 0.0016 0.0001 0.0003
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0097 0.0096
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.002 0.0024 0.0023
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0097 0.0096
Onchocerca volvulus 0.0073 0.037 0.4647
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0097 0.0096
Loa Loa (eye worm) PAN domain-containing protein 0.0073 0.037 0.0369
Echinococcus multilocularis amiloride sensitive amine oxidase 0.0056 0.0259 0.0258
Brugia malayi Latrophilin receptor protein 2 0.003 0.0091 0.0091
Schistosoma mansoni copper/topaquinone oxidase 0.0056 0.0259 0.0258
Toxoplasma gondii calcium binding egf domain-containing protein 0.0016 0.0001 0.0003
Brugia malayi PAN domain containing protein 0.0073 0.037 0.037
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.1549 1 1
Toxoplasma gondii PAN domain-containing protein 0.0073 0.037 0.0799
Brugia malayi hypothetical protein 0.0094 0.0508 0.0508
Toxoplasma gondii microneme protein MIC4 0.0073 0.037 0.0799
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0097 0.0096
Onchocerca volvulus 0.0073 0.037 0.4647
Loa Loa (eye worm) hypothetical protein 0.0094 0.0508 0.0507
Schistosoma mansoni hypothetical protein 0.0132 0.0754 0.0753
Toxoplasma gondii PAN domain-containing protein 0.0726 0.463 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0318 0.0317
Brugia malayi PAN domain containing protein 0.0073 0.037 0.037
Echinococcus multilocularis glutamate receptor 2 0.0022 0.0038 0.0037
Toxoplasma gondii hypothetical protein 0.0073 0.037 0.0799
Loa Loa (eye worm) hypothetical protein 0.0043 0.0179 0.0178
Echinococcus multilocularis Mastin 0.0031 0.0097 0.0096
Toxoplasma gondii microneme protein, putative 0.0073 0.037 0.0799
Brugia malayi Protein kinase domain containing protein 0.0064 0.0315 0.0315
Toxoplasma gondii hypothetical protein 0.0073 0.037 0.0799
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0097 0.0096
Onchocerca volvulus 0.0031 0.0097 0.1214
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0097 0.0096
Schistosoma mansoni hypothetical protein 0.0031 0.0097 0.0096
Brugia malayi PAN domain containing protein 0.0073 0.037 0.037
Echinococcus multilocularis geminin 0.0132 0.0754 0.0753
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.003 0.0091 0.009
Brugia malayi latrophilin 2 splice variant baaae 0.0065 0.0318 0.0318
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0073 0.0372 0.0372
Echinococcus multilocularis GPCR, family 2 0.003 0.0091 0.009
Brugia malayi Trypsin family protein 0.0031 0.0097 0.0097
Schistosoma mansoni serine/threonine protein kinase 0.004 0.0154 0.0153
Loa Loa (eye worm) PAN domain-containing protein 0.0073 0.037 0.0369
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.003 0.0091 0.0091
Loa Loa (eye worm) hypothetical protein 0.0018 0.0015 0.0014
Schistosoma mansoni hypothetical protein 0.003 0.0091 0.009
Echinococcus granulosus amiloride sensitive amine oxidase 0.0056 0.0259 0.0258
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0031 0.0097 0.0096
Toxoplasma gondii PAN domain-containing protein 0.0073 0.037 0.0799
Echinococcus multilocularis dihydrofolate reductase 0.1549 1 1
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.002 0.0024 0.0023
Schistosoma mansoni hypothetical protein 0.0132 0.0754 0.0753
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0031 0.0097 0.0096
Echinococcus multilocularis glycoprotein Antigen 5 0.0031 0.0097 0.0096
Toxoplasma gondii PAN/Apple domain-containing protein 0.0073 0.037 0.0799
Brugia malayi Calcium binding EGF domain containing protein 0.0016 0.0001 0.0001
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0613 0.3892 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.037 0.0369
Echinococcus multilocularis integrin alpha ps 0.0035 0.0126 0.0125
Echinococcus granulosus sodium channel protein 0.0123 0.07 0.0699
Toxoplasma gondii hypothetical protein 0.0028 0.0079 0.0171
Brugia malayi Dihydrofolate reductase 0.1549 1 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0022 0.0038 0.0037
Loa Loa (eye worm) hypothetical protein 0.0017 0.0006 0.0005
Brugia malayi PAN domain containing protein 0.0073 0.037 0.037
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0123 0.07 0.1462
Loa Loa (eye worm) hypothetical protein 0.0064 0.0315 0.0314
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.003 0.0091 0.009
Loa Loa (eye worm) transcription factor SMAD2 0.0167 0.0984 0.0983
Schistosoma mansoni hypothetical protein 0.0064 0.0315 0.0314
Loa Loa (eye worm) hypothetical protein 0.0027 0.0073 0.0071
Loa Loa (eye worm) PAN domain-containing protein 0.0073 0.037 0.0369
Echinococcus granulosus Mastin 0.0031 0.0097 0.0096
Schistosoma mansoni integrin alpha-ps 0.0035 0.0126 0.0125
Loa Loa (eye worm) latrophilin receptor protein 2 0.003 0.0091 0.009
Brugia malayi Kringle domain containing protein 0.0064 0.0315 0.0315
Brugia malayi Trypsin family protein 0.0138 0.0794 0.0794
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0027 0.0073 0.0901
Onchocerca volvulus 0.0073 0.037 0.4647
Giardia lamblia Kinase, CMGC MAPK 0.004 0.0154 0.1447
Giardia lamblia DNA repair protein RAD52 0.0175 0.1035 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0022 0.0038 0.0037
Onchocerca volvulus 0.0064 0.0315 0.3959
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0138 0.0794 0.0793
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0037 0.0137 0.004
Brugia malayi Calcitonin receptor-like protein seb-1 0.0095 0.0514 0.0514
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.002 0.0024 0.0023
Onchocerca volvulus 0.0073 0.037 0.4647
Loa Loa (eye worm) hypothetical protein 0.0095 0.0514 0.0513
Brugia malayi Trypsin family protein 0.0031 0.0097 0.0097
Loa Loa (eye worm) dihydrofolate reductase 0.1549 1 1
Schistosoma mansoni hypothetical protein 0.0031 0.0097 0.0096
Echinococcus granulosus dihydrofolate reductase 0.1549 1 1
Echinococcus multilocularis integrin alpha ps 0.0017 0.0006 0.0005
Brugia malayi Integrin alpha pat-2 precursor 0.0079 0.0409 0.0409
Schistosoma mansoni integrin alpha-ps 0.0018 0.0015 0.0014
Schistosoma mansoni dihydrofolate reductase 0.1549 1 1
Echinococcus granulosus glutamate receptor 2 0.0022 0.0038 0.0037
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0022 0.0038 0.0037
Onchocerca volvulus 0.0031 0.0097 0.1214
Chlamydia trachomatis dihydrofolate reductase 0.1549 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.037 0.0369
Echinococcus granulosus GPCR family 2 0.003 0.0091 0.009
Echinococcus granulosus nmda type glutamate receptor 0.0051 0.0231 0.023
Loa Loa (eye worm) hypothetical protein 0.0031 0.0097 0.0096
Toxoplasma gondii PAN domain-containing protein 0.0726 0.463 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.004 0.0154 0.0153
Brugia malayi MAP kinase sur-1 0.004 0.0154 0.0154
Echinococcus granulosus mitogen activated protein kinase 0.004 0.0154 0.0153
Brugia malayi PAN domain containing protein 0.0073 0.037 0.037
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0037 0.0137 0.5
Brugia malayi Integrin alpha cytoplasmic region family protein 0.006 0.0284 0.0284
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0016 0.0001 0.0001
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0031 0.0097 0.0096
Loa Loa (eye worm) hypothetical protein 0.0073 0.037 0.0369
Schistosoma mansoni hypothetical protein 0.003 0.0091 0.009
Onchocerca volvulus 0.0031 0.0097 0.1214
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0309 1
Echinococcus multilocularis sodium channel protein 0.0123 0.07 0.0699
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0138 0.0794 0.0793
Echinococcus multilocularis mitogen activated protein kinase 3 0.004 0.0154 0.0153
Toxoplasma gondii kringle domain-containing protein 0.0064 0.0315 0.0681
Toxoplasma gondii subtilisin SUB12 0.0073 0.037 0.0799
Onchocerca volvulus 0.0031 0.0097 0.1214
Loa Loa (eye worm) hypothetical protein 0.0031 0.0097 0.0096
Echinococcus granulosus geminin 0.0132 0.0754 0.0753
Loa Loa (eye worm) hypothetical protein 0.003 0.0091 0.009
Onchocerca volvulus 0.0094 0.0508 0.6387
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0031 0.0097 0.0096
Schistosoma mansoni hypothetical protein 0.0065 0.0318 0.0317
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.1549 1 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0613 0.3892 0.8406
Brugia malayi PAN domain containing protein 0.0073 0.037 0.037
Toxoplasma gondii PAN domain-containing protein 0.0073 0.037 0.0799
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0031 0.0097 0.0096
Toxoplasma gondii PAN domain-containing protein 0.0073 0.037 0.0799
Loa Loa (eye worm) hypothetical protein 0.0073 0.037 0.0369
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0037 0.0137 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.037 0.0369
Loa Loa (eye worm) MH2 domain-containing protein 0.0167 0.0984 0.0983
Echinococcus multilocularis transmembrane protease serine 3 0.0031 0.0097 0.0096
Trypanosoma cruzi hypothetical protein, conserved 0.0064 0.0315 0.0432
Onchocerca volvulus 0.0107 0.0593 0.7454
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0022 0.0038 0.0037
Brugia malayi Trypsin-like protease protein 5 0.0031 0.0097 0.0097
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0097 0.0096
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.003 0.0091 0.009
Onchocerca volvulus 0.0031 0.0097 0.1214
Schistosoma mansoni glutamate receptor NMDA 0.0022 0.0038 0.0037
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0051 0.0231 0.023
Brugia malayi PAN domain containing protein 0.0073 0.037 0.037
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0097 0.0096
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0022 0.0038 0.0037
Echinococcus granulosus integrin alpha ps 0.0017 0.0006 0.0005
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0095 0.0514 0.0513
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0031 0.0097 0.0096
Loa Loa (eye worm) hypothetical protein 0.0031 0.0097 0.0096
Loa Loa (eye worm) hypothetical protein 0.0062 0.0299 0.0298
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0022 0.0038 0.0037
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0031 0.0097 0.0097
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0613 0.3892 1
Loa Loa (eye worm) trypsin family protein 0.0031 0.0097 0.0096
Echinococcus granulosus transmembrane protease serine 3 0.0031 0.0097 0.0096
Toxoplasma gondii microneme protein MIC17A 0.0073 0.037 0.0799
Brugia malayi PAN domain containing protein 0.0073 0.037 0.037
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0031 0.0097 0.0096
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0022 0.0038 0.0037
Onchocerca volvulus 0.0073 0.037 0.4647
Loa Loa (eye worm) hypothetical protein 0.0031 0.0097 0.0096
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0022 0.0038 0.0037
Onchocerca volvulus 0.0073 0.037 0.4647
Echinococcus granulosus enteropeptidase 0.0031 0.0097 0.0096
Brugia malayi MH2 domain containing protein 0.0167 0.0984 0.0984
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0097 0.0096
Echinococcus granulosus integrin alpha ps 0.0035 0.0126 0.0125
Toxoplasma gondii microneme protein MIC17B 0.0073 0.037 0.0799
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0095 0.0514 0.0514
Loa Loa (eye worm) hypothetical protein 0.0031 0.0097 0.0096
Loa Loa (eye worm) hypothetical protein 0.0138 0.0794 0.0793
Onchocerca volvulus 0.0073 0.037 0.4647
Onchocerca volvulus 0.0073 0.037 0.4647
Loa Loa (eye worm) hypothetical protein 0.0138 0.0794 0.0793

Activities

Activity type Activity value Assay description Source Reference
Dose (functional) = 11 mg kg-1 Active dose for antiarrhythmic activity in Harris dog. ChEMBL. 6854583
Inhibition (functional) = 72 % Percentage inhibition of field stimulated contraction guinea pig ileum (parasympatholytic activity)in presence of test compound (4 mg/L) ChEMBL. 6854583
Inhibition (functional) = 72 % Percentage inhibition of field stimulated contraction guinea pig ileum (parasympatholytic activity)in presence of test compound (4 mg/L) ChEMBL. 6854583

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

1 literature reference was collected for this gene.

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