Detailed information for compound 1472438

Basic information

Technical information
  • TDR Targets ID: 1472438
  • Name: N-(furan-2-ylmethyl)-2-piperidin-1-ylquinazol in-4-amine
  • MW: 308.378 | Formula: C18H20N4O
  • H donors: 1 H acceptors: 2 LogP: 3.75 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCN(CC1)c1nc(NCc2ccco2)c2c(n1)cccc2
  • InChi: 1S/C18H20N4O/c1-4-10-22(11-5-1)18-20-16-9-3-2-8-15(16)17(21-18)19-13-14-7-6-12-23-14/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,19,20,21)
  • InChiKey: SRTQBUDNFLRBKO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-furylmethyl)-2-(1-piperidyl)quinazolin-4-amine
  • N-(2-furylmethyl)-2-(1-piperidyl)-4-quinazolinamine
  • 2-furylmethyl-(2-piperidinoquinazolin-4-yl)amine
  • N-(furan-2-ylmethyl)-2-piperidin-1-yl-quinazolin-4-amine
  • EU-0044628
  • Oprea1_788017
  • STOCK3S-24784
  • BAS 03374200
  • Oprea1_423638
  • ZINC00356485

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
Trypanosoma cruzi cruzipain precursor, putative 0.0063 0.0713 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0016 0.0246
Brugia malayi hypothetical protein 0.0019 0.006 0.0935
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0713 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0046 0.7744
Echinococcus multilocularis cysteine protease 0.0017 0.0016 0.0016
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0046 0.5
Toxoplasma gondii exonuclease III APE 0.0019 0.0046 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0713 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.0586 0.0586
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0713 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0046 0.5
Onchocerca volvulus 0.0019 0.006 1
Brugia malayi hypothetical protein 0.0019 0.006 0.0935
Schistosoma mansoni hypothetical protein 0.0019 0.006 0.006
Schistosoma mansoni ap endonuclease 0.0019 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0126 0.1667 0.3114
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0713 1
Schistosoma mansoni ap endonuclease 0.0019 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0017 0.0016 0.0029
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.064 0.064
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0016 0.0016
Brugia malayi Cytochrome P450 family protein 0.0045 0.0438 0.6853
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0046 0.0649
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.064 0.064
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0016 0.022
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0713 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0631 0.8849
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0016 0.0016
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0046 0.5
Echinococcus multilocularis small conductance calcium activated potassium 0.0372 0.5354 0.5354
Echinococcus granulosus small conductance calcium activated potassium 0.0372 0.5354 0.5354
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.006 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.012 0.1564 0.2922
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0046 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0681 1 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.006 0.006
Leishmania major cathepsin L-like protease 0.0017 0.0016 0.022
Loa Loa (eye worm) hypothetical protein 0.0019 0.006 0.0112
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0713 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0016 0.0029
Brugia malayi Cathepsin L-like precursor 0.0017 0.0016 0.0246
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.064 0.064
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0017 0.0016 0.2629
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0713 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0713 1
Plasmodium vivax vivapain-2 0.0017 0.0016 0.2629
Toxoplasma gondii cathepsin CPL 0.0017 0.0016 0.3395
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0046 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0016 0.0016
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0713 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0046 0.5
Brugia malayi jmjC domain containing protein 0.0058 0.064 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0713 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.006 0.006
Schistosoma mansoni lipoxygenase 0.0054 0.0586 0.0586
Schistosoma mansoni calcium-activated potassium channel 0.024 0.3372 0.3372
Loa Loa (eye worm) cysteine protease 0.0017 0.0016 0.0029
Loa Loa (eye worm) hypothetical protein 0.0372 0.5354 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.006 0.006
Schistosoma mansoni loxhd1 0.0019 0.006 0.006
Plasmodium falciparum cysteine proteinase falcipain 3 0.0017 0.0016 0.2629
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.064 0.064
Schistosoma mansoni hypothetical protein 0.0372 0.5354 0.5354
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.064 0.064
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0713 1
Loa Loa (eye worm) doublecortin family protein 0.0019 0.006 0.0112
Schistosoma mansoni jumonji domain containing protein 0.0058 0.064 0.064
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0046 0.0046
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0016 0.0016
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0046 0.0649
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0046 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0511 0.7162
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0113 0.1472 0.275
Brugia malayi jmjC domain containing protein 0.0058 0.064 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0016 0.0246
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0046 0.7744
Schistosoma mansoni polycystin 1-related 0.0019 0.006 0.006
Leishmania major cathepsin L-like protease 0.0017 0.0016 0.022
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0713 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0046 1
Leishmania major cathepsin L-like protease 0.0017 0.0016 0.022
Loa Loa (eye worm) fibroinase 0.0017 0.0016 0.0029
Echinococcus multilocularis cysteine protease 0.0017 0.0016 0.0016
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0016 0.0246
Loa Loa (eye worm) ctsf protein 0.0017 0.0016 0.0029
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.006 0.006
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.064 0.064
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0046 0.0724
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0713 1
Echinococcus granulosus cathepsin l1 0.0017 0.0016 0.0016
Echinococcus multilocularis microtubule associated protein 2 0.0681 1 1
Brugia malayi Doublecortin family protein 0.0019 0.006 0.0935
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.006 0.006
Leishmania major cysteine peptidase A (CPA) 0.0017 0.0016 0.022
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0046 0.0649
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.064 0.1195
Leishmania major cathepsin L-like protease 0.0063 0.0713 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0046 0.0649
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0046 0.0046
Schistosoma mansoni rab6-interacting 0.0019 0.006 0.006
Echinococcus granulosus RUN 0.0019 0.006 0.006
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0016 0.0029
Leishmania major cathepsin L-like protease 0.0063 0.0713 1
Schistosoma mansoni rab6-interacting 0.0019 0.006 0.006
Onchocerca volvulus 0.0019 0.006 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.0586 0.0586
Schistosoma mansoni calcium-activated potassium channel 0.0372 0.5354 0.5354
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.006 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0017 0.0016 0.2629
Leishmania major cathepsin L-like protease 0.0017 0.0016 0.022
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0713 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.0438 0.0819
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0016 0.0016
Leishmania major cathepsin L-like protease 0.0063 0.0713 1
Plasmodium vivax vivapain-2 0.0017 0.0016 0.2629
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0019 0.006 0.0112
Schistosoma mansoni lipoxygenase 0.0019 0.006 0.006
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0046 0.0087
Echinococcus multilocularis RUN 0.0019 0.006 0.006
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0016 0.0016
Leishmania major cathepsin L-like protease 0.0017 0.0016 0.022
Brugia malayi Cathepsin L-like precursor 0.0017 0.0016 0.0246
Brugia malayi Cathepsin L-like precursor 0.0017 0.0016 0.0246
Brugia malayi Cathepsin L-like precursor 0.0017 0.0016 0.0246

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 18.6 uM HepG2 CC50 (uM) Cytotoxicity ChEMBL. No reference
Inhibition (binding) Compound was evaluated for the inhibition of human FECH at 10uM MMV_PBOX. No reference
MIC (functional) = 4.7 uM AntiMycobacterium tuberculosis activity 1-week 7H9/cholesterol/BSA/Tx MIC (uM) ChEMBL. No reference
MIC (functional) = 6.25 uM AntiMycobacterium tuberculosis activity 1-week 7H9/DPPC/cholesterol/BSA/Tx MIC (uM) ChEMBL. No reference
MIC (functional) = 6.25 uM AntiMycobacterium tuberculosis activity 1-week 7H9/glucose/BSA/Tx MIC (uM) ChEMBL. No reference
MIC (functional) = 6.25 uM AntiMycobacterium tuberculosis activity 2-week Alamar Blue 7H9/cholesterol/BSA/Tx MIC (uM) ChEMBL. No reference
MIC (functional) = 9.4 uM AntiMycobacterium tuberculosis activity 2-week 7H9/DPPC/cholesterol/BSA/Tx MIC (uM) ChEMBL. No reference
MIC (functional) = 9.4 uM AntiMycobacterium tuberculosis activity 2-week GAST/Fe MIC (uM) ChEMBL. No reference
MIC (functional) = 9.4 uM AntiMycobacterium tuberculosis activity 1-week GAST/Fe MIC (uM) ChEMBL. No reference
MIC (functional) = 12.5 uM AntiMycobacterium tuberculosis activity 2-week 7H9/glucose/BSA/Tx MIC (uM) ChEMBL. No reference
MIC (functional) = 19 uM AntiMycobacterium tuberculosis activity 1-week 7H9/ADC/Tw MIC (uM) ChEMBL. No reference
MIC (functional) = 25 uM AntiMycobacterium tuberculosis activity 2-week Alamar Blue 7H9/ADC/Tw MIC (uM) ChEMBL. No reference
MIC (functional) = 25 uM AntiMycobacterium tuberculosis activity 2-week 7H9/ADC/Tw MIC (uM) ChEMBL. No reference
MIC (functional) = 25 uM AntiMycobacterium tuberculosis activity day 21 MIC99 in 7H9/2.5mM butyrate/pH6/0.1mM nitrite MIC99 (uM) ChEMBL. No reference
MIC90 (functional) = 8.41 uM AntiMycobacterium tuberculosis activity Replicating form: Average MIC90 (uM) ChEMBL. No reference
MIC90 (functional) = 12.5 uM AntiMycobacterium tuberculosis activity day 10 in 7H9/2.5mM butyrate/pH6/0.1mM nitrite MIC90 (uM) ChEMBL. No reference
MIC90 (functional) = 12.5 uM AntiMycobacterium tuberculosis activity day 10 in 7H9/2.5mM butyrate/pH6/0.1mM nitrite MIC90 (uM) ChEMBL. No reference
MIC90 (functional) = 25 uM AntiMycobacterium tuberculosis activity day 21 in 7H9/2.5mM butyrate/pH6/0.1mM nitrite MIC90 (uM) ChEMBL. No reference
MIC90 (functional) = 27.82 uM AntiMycobacterium tuberculosis activity Non-Replicating form: Average MIC90 (uM) 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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