Detailed information for compound 1467766

Basic information

Technical information
  • TDR Targets ID: 1467766
  • Name: 5-tert-butyl-4-(morpholin-4-ylmethyl)furan-2- carboxylic acid hydrochloride
  • MW: 303.782 | Formula: C14H22ClNO4
  • H donors: 1 H acceptors: 2 LogP: 0.54 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cc(c(o1)C(C)(C)C)CN1CCOCC1.Cl
  • InChi: 1S/C14H21NO4.ClH/c1-14(2,3)12-10(8-11(19-12)13(16)17)9-15-4-6-18-7-5-15;/h8H,4-7,9H2,1-3H3,(H,16,17);1H
  • InChiKey: WEPJVPMXZNYWAG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-tert-butyl-4-(morpholinomethyl)furan-2-carboxylic acid hydrochloride
  • 5-tert-butyl-4-(morpholinomethyl)-2-furancarboxylic acid hydrochloride
  • 5-tert-butyl-4-(morpholinomethyl)-2-furoic acid hydrochloride
  • 5-tert-Butyl-4-morpholin-4-ylmethyl-furan-2-carboxylic acid
  • MLS000123664
  • SMR000124255

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 phosphatidylinositol 3-kinase vps34-like 0.0357 0.0192 0.0554
Entamoeba histolytica protein kinase rad3, putative 0.0664 0.0388 0.4452
Loa Loa (eye worm) hypothetical protein 0.0501 0.0284 0.391
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1196 0.0727 0.2008
Loa Loa (eye worm) hypothetical protein 0.0187 0.0084 0.1155
Trichomonas vaginalis PIKK family atypical protein kinase 0.0679 0.0398 0.4611
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0237 0.0116 0.0334
Loa Loa (eye worm) phosphatidylinositol 3 0.0237 0.0116 0.1594
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.029 0.015 0.0432
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0459 0.0257 0.0143
Trichomonas vaginalis PIKK family atypical protein kinase 0.1187 0.0721 0.99
Trichomonas vaginalis PIKK family atypical protein kinase 0.1196 0.0727 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0675 0.0395 0.4568
Trichomonas vaginalis PIKK family atypical protein kinase 0.1184 0.0719 0.9875
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0543 0.0311 0.3196
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1176 0.0714 0.1973
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0579 0.0334 0.3567
Loa Loa (eye worm) hypothetical protein 0.0459 0.0257 0.354
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0357 0.0192 0.125
Trichomonas vaginalis PIKK family atypical protein kinase 0.1184 0.0719 0.9875
Loa Loa (eye worm) phosphatidylinositol 3 0.0237 0.0116 0.1594
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0501 0.0284 0.017
Trichomonas vaginalis PIKK family atypical protein kinase 0.1196 0.0727 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.029 0.015 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1184 0.0719 0.9875
Loa Loa (eye worm) hypothetical protein 0.0664 0.0388 0.5336
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0646 0.0376 0.1084
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0256 0.0128 0.1761
Trichomonas vaginalis conserved hypothetical protein 0.0738 0.0435 0.5224
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 1.5759 1 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0442 0.0247 0.0711
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0357 0.0192 0.2645
Onchocerca volvulus 0.0237 0.0116 0.5
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0357 0.0192 0.1223
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0679 0.0398 0.537
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0357 0.0192 0.125
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1196 0.0727 0.9817
Trichomonas vaginalis PIKK family atypical protein kinase 0.1175 0.0713 0.9776
Trichomonas vaginalis PIKK family atypical protein kinase 0.1184 0.0719 0.9875
Trichomonas vaginalis PIKK family atypical protein kinase 0.1165 0.0707 0.9676
Trichomonas vaginalis PIKK family atypical protein kinase 0.1175 0.0713 0.9775
Trichomonas vaginalis PIKK family atypical protein kinase 0.1175 0.0713 0.9776
Loa Loa (eye worm) cytochrome P450 family protein 0.0116 0.0039 0.0535
Toxoplasma gondii FATC domain-containing protein 0.0679 0.0398 0.4669
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1217 0.074 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0825 0.049 0.0379
Trichomonas vaginalis PIKK family atypical protein kinase 0.0246 0.0122 0.0099
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1196 0.0727 1
Echinococcus granulosus serine protein kinase ATM 0.0679 0.0398 0.0285
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0646 0.0376 0.5081
Trichomonas vaginalis PIKK family atypical protein kinase 0.1175 0.0713 0.9775
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.029 0.015 0.0563
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0237 0.0116 0.1565
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0409 0.0225 0.1792
Trichomonas vaginalis PIKK family atypical protein kinase 0.1175 0.0713 0.9775
Trichomonas vaginalis PIKK family atypical protein kinase 0.0759 0.0449 0.5448
Leishmania major phosphatidylinositol 3-kinase, putative 0.029 0.015 0.0414
Trichomonas vaginalis PIKK family atypical protein kinase 0.1184 0.0719 0.9875
Trichomonas vaginalis PIKK family atypical protein kinase 0.1165 0.0707 0.9676
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0459 0.0257 0.3475
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.029 0.015 0.0556
Mycobacterium leprae conserved hypothetical protein 0.0237 0.0116 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1184 0.0719 0.9875
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0738 0.0435 0.529
Entamoeba histolytica hypothetical protein 0.0579 0.0334 0.3567
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0646 0.0376 0.1084
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1217 0.074 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0683 0.04 0.4651
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0357 0.0192 0.125
Trichomonas vaginalis PIKK family atypical protein kinase 0.1165 0.0707 0.9676
Trypanosoma cruzi hypothetical protein, conserved 0.5503 0.3469 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.029 0.015 0.0556
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1196 0.0727 0.9783
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.029 0.015 0.0544
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.029 0.015 0.2024
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.029 0.015 0.0034
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1217 0.074 0.0632
Leishmania major phosphatidylinositol 3-kinase, putative 0.1165 0.0707 0.1953
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.029 0.015 0.0034
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0477 0.0269 0.2502
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0237 0.0116 0.1594
Loa Loa (eye worm) hypothetical protein 0.0442 0.0247 0.3395
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.029 0.015 0.0414
Loa Loa (eye worm) phosphatidylinositol 3 0.1176 0.0714 0.9825
Leishmania major phosphatidylinositol kinase related protein, putative 0.0252 0.0126 0.0347
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1196 0.0727 0.2008
Trichomonas vaginalis PIKK family atypical protein kinase 0.1187 0.0721 0.99
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0646 0.0376 0.4261
Trichomonas vaginalis PIKK family atypical protein kinase 0.1184 0.0719 0.9875
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.029 0.015 0.0432
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0357 0.0192 0.2597
Mycobacterium tuberculosis Conserved hypothetical protein 0.0237 0.0116 0.5
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1217 0.074 0.2134
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0237 0.0116 0.1594
Trichomonas vaginalis PIKK family atypical protein kinase 0.0683 0.04 0.4651
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0237 0.0116 0.0334
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0679 0.0398 0.4511
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0357 0.0192 0.125
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0664 0.0388 0.0275
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.029 0.015 0.0556
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1196 0.0727 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1177 0.0715 0.9801
Trichomonas vaginalis PIKK family atypical protein kinase 0.1165 0.0707 0.9676
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0679 0.0398 0.1146
Trichomonas vaginalis conserved hypothetical protein 0.0427 0.0237 0.1983
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0392 0.0215 0.1621
Trichomonas vaginalis conserved hypothetical protein 0.0501 0.0284 0.2755
Entamoeba histolytica hypothetical protein 0.0679 0.0398 0.4611
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0543 0.0311 0.3196
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.029 0.015 0.2061
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.029 0.015 0.0034
Trichomonas vaginalis PIKK family atypical protein kinase 0.0664 0.0388 0.4452
Trichomonas vaginalis PIKK family atypical protein kinase 0.1187 0.0721 0.99
Echinococcus multilocularis serine protein kinase ATM 0.0679 0.0398 0.0285
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0679 0.0398 0.547
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1165 0.0707 0.9728
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.012 0.0041 0.0119
Loa Loa (eye worm) phosphatidylinositol 3 0.0759 0.0448 0.6165
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0646 0.0376 0.4261
Brugia malayi Cytochrome P450 family protein 0.0116 0.0039 0.0525
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0055 0 0.5
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1196 0.0727 0.0618
Trichomonas vaginalis PIKK family atypical protein kinase 0.1177 0.0715 0.9801
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1217 0.074 0.0632
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1176 0.0714 0.9825
Loa Loa (eye worm) phosphatidylinositol 3 0.0237 0.0116 0.1594
Leishmania major phosphatidylinositol 4-kinase, putative 0.0237 0.0116 0.032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0695 0.0408 0.4776
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0825 0.049 0.5999
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0664 0.0388 0.1118
Schistosoma mansoni phosphatidylinositol 4-kinase 0.029 0.015 0.0544
Trichomonas vaginalis PIKK family atypical protein kinase 0.1175 0.0713 0.9776
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0459 0.0257 0.0143
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0237 0.0116 0.1565
Leishmania major hypothetical protein, conserved 0.5739 0.362 1
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.029 0.015 0.0556
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0303 0.0158 0.0694
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0237 0.0116 0.0334
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0825 0.049 0.0379
Loa Loa (eye worm) phosphatidylinositol 3 0.1196 0.0727 1
Leishmania major phosphatidylinositol kinase, putative 0.0237 0.0116 0.032
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.029 0.015 0.0556
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0646 0.0376 0.4261
Loa Loa (eye worm) phosphatidylinositol kinase 0.0237 0.0116 0.1594
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.018 0.0079 0.1072
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1187 0.0721 0.1991
Toxoplasma gondii target of rapamycin (TOR), putative 0.1184 0.0719 1
Trypanosoma cruzi target of rapamycin kinase 3 0.1187 0.0721 0.2077
Onchocerca volvulus 0.0237 0.0116 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1176 0.0714 0.9792
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1196 0.0727 1
Echinococcus multilocularis Zinc finger, PHD finger 0.029 0.015 0.0034
Loa Loa (eye worm) hypothetical protein 0.0237 0.0116 0.1594
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1196 0.0727 0.2095
Leishmania major hypothetical protein, unknown function 0.0237 0.0116 0.032
Schistosoma mansoni fkbp-rapamycin associated protein 0.0664 0.0388 0.4356
Trichomonas vaginalis PIKK family atypical protein kinase 0.1175 0.0713 0.9776
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.029 0.015 0.2061
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.029 0.015 0.0563
Plasmodium falciparum phosphatidylinositol 3-kinase 0.029 0.015 1
Schistosoma mansoni hypothetical protein 0.0501 0.0284 0.2696
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0646 0.0376 0.4261
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0237 0.0116 0.0334
Trichomonas vaginalis PIKK family atypical protein kinase 0.0683 0.04 0.4651
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0501 0.0284 0.017
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1196 0.0727 0.2095
Giardia lamblia GTOR 0.1196 0.0727 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0748 0.0441 0.6069
Brugia malayi FAT domain containing protein 0.0501 0.0284 0.3839
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0237 0.0116 0.1565
Loa Loa (eye worm) phosphatidylinositol 3 0.012 0.0041 0.057
Trichomonas vaginalis PIKK family atypical protein kinase 0.0685 0.0402 0.4676
Loa Loa (eye worm) hypothetical protein 0.0738 0.0435 0.5985
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1217 0.074 0.2134
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0664 0.0388 0.0275
Trichomonas vaginalis PIKK family atypical protein kinase 0.1196 0.0727 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1196 0.0727 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0237 0.0116 0.1594
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0357 0.0192 0.125
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0252 0.0126 0.0362
Trichomonas vaginalis PIKK family atypical protein kinase 0.0427 0.0237 0.1983
Trichomonas vaginalis PIKK family atypical protein kinase 0.1187 0.0721 0.99
Trichomonas vaginalis PIKK family atypical protein kinase 0.1187 0.0721 0.99
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1187 0.0721 0.9916
Trichomonas vaginalis PIKK family atypical protein kinase 0.0675 0.0395 0.4568
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1196 0.0727 0.0618
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0664 0.0388 0.5239

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 89.1251 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) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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