Detailed information for compound 1447611

Basic information

Technical information
  • TDR Targets ID: 1447611
  • Name: MLS001003903
  • MW: 287.314 | Formula: C15H17N3O3
  • H donors: 0 H acceptors: 4 LogP: 3.1 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)C)C(=O)Cn1nc(c(c1C)[N+](=O)[O-])C
  • InChi: 1S/C15H17N3O3/c1-9-5-6-13(10(2)7-9)14(19)8-17-12(4)15(18(20)21)11(3)16-17/h5-7H,8H2,1-4H3
  • InChiKey: SRHUZRLOTWRWID-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • SMR000377617
  • ZINC02622862
  • T5262355

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) FKBP5 protein 0.0044 0.0029 0.0054
Mycobacterium tuberculosis Possible oxidoreductase 0.0081 0.036 0.0167
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0104 0.0568 0.1302
Trichomonas vaginalis AGC family protein kinase 0.0116 0.0678 0.157
Echinococcus granulosus serine:threonine protein kinase NLK 0.0116 0.0678 0.1198
Brugia malayi endochitinase 0.0075 0.0309 0.0567
Echinococcus granulosus dual specificity 0.0503 0.4161 0.7632
Loa Loa (eye worm) hypothetical protein 0.006 0.0171 0.0313
Brugia malayi Endochitinase 0.0085 0.0391 0.0717
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.0116 0.0678 0.157
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Echinococcus granulosus serine:threonine protein kinase haspin 0.0646 0.5443 1
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0104 0.0568 0.1034
Trichomonas vaginalis CMGC family protein kinase 0.0503 0.4161 1
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Schistosoma mansoni serine/threonine protein kinase 0.0116 0.0678 0.1246
Entamoeba histolytica protein kinase domain containing protein 0.0104 0.0568 0.1302
Plasmodium falciparum conserved protein, unknown function 0.012 0.0708 1
Echinococcus granulosus dual specificity 0.0104 0.0568 0.0994
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Trichomonas vaginalis CMGC family protein kinase 0.0503 0.4161 1
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0081 0.036 0.4871
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0116 0.0678 0.1236
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Echinococcus multilocularis protoporphyrinogen oxidase 0.0081 0.036 0.061
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0116 0.0678 0.157
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Loa Loa (eye worm) hypothetical protein 0.0081 0.036 0.0656
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Echinococcus granulosus mitogen activated protein kinase 15 0.0116 0.0678 0.1198
Trichomonas vaginalis protein kinase atmrk1, putative 0.0116 0.0678 0.157
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0081 0.036 0.4871
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Entamoeba histolytica hypothetical protein 0.0112 0.0634 0.1464
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.0678 0.157
Trichomonas vaginalis AGC family protein kinase 0.0116 0.0678 0.157
Loa Loa (eye worm) hypothetical protein 0.0081 0.036 0.0656
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0116 0.0678 0.157
Mycobacterium ulcerans oxidoreductase 0.0081 0.036 0.0331
Entamoeba histolytica protein kinase domain containing protein 0.0503 0.4161 1
Giardia lamblia Kinase, CAMK CAMKL 0.0116 0.0678 0.157
Trypanosoma brucei protein kinase, putative 0.0116 0.0678 0.157
Entamoeba histolytica protein kinase domain containing protein 0.0116 0.0678 0.157
Schistosoma mansoni immunophilin 0.0044 0.0029 0.0054
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Schistosoma mansoni amine oxidase 0.0081 0.036 0.0661
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Leishmania major serine/threonine kinase-like protein, putative 0.0116 0.0678 0.157
Brugia malayi Cell division protein kinase 2 0.0116 0.0678 0.1246
Mycobacterium ulcerans dehydrogenase 0.0081 0.036 0.0331
Schistosoma mansoni amine oxidase 0.0081 0.036 0.0661
Entamoeba histolytica protein kinase, putative 0.0104 0.0568 0.1302
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0116 0.0678 0.1236
Schistosoma mansoni serine/threonine kinase 0.0116 0.0678 0.1246
Chlamydia trachomatis protoporphyrinogen oxidase 0.0081 0.036 0.5
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1071 0.927 1
Loa Loa (eye worm) haspin protein kinase 0.0651 0.5487 1
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Trichomonas vaginalis G protein-coupled receptor kinase, putative 0.0116 0.0678 0.157
Onchocerca volvulus 0.012 0.0708 1
Schistosoma mansoni protein kinase 0.0116 0.0678 0.1246
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.012 0.0708 0.1253
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0044 0.0029 0.0054
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0646 0.5443 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0081 0.036 0.4871
Echinococcus granulosus lysine specific histone demethylase 1A 0.0081 0.036 0.061
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0116 0.0678 0.157
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.012 0.0708 0.13
Mycobacterium tuberculosis Conserved hypothetical protein 0.0081 0.036 0.0167
Trichomonas vaginalis AGC family protein kinase 0.0116 0.0678 0.157
Onchocerca volvulus 0.012 0.0708 1
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0503 0.4161 1
Echinococcus granulosus dual specificity 0.0503 0.4161 0.7632
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Echinococcus granulosus cyclin dependent kinase 9 0.0116 0.0678 0.1198
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0081 0.036 0.4871
Echinococcus granulosus dual specificity 0.0503 0.4161 0.7632
Onchocerca volvulus 0.0081 0.036 0.1283
Brugia malayi Protein kinase domain containing protein 0.0116 0.0678 0.1246
Echinococcus multilocularis dual specificity 0.0503 0.4161 0.7632
Brugia malayi cyclin-dependent kinase 7 homolog 0.0116 0.0678 0.1246
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.0678 0.157
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0104 0.0568 0.1302
Trichomonas vaginalis AGC family protein kinase 0.0116 0.0678 0.157
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Onchocerca volvulus Putative endochitinase 0.0085 0.0391 0.2052
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.0568 0.1043
Trichomonas vaginalis CMGC family protein kinase 0.0503 0.4161 1
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Brugia malayi amine oxidase, flavin-containing family protein 0.0081 0.036 0.0661
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0081 0.036 0.061
Loa Loa (eye worm) chitinase I 0.0075 0.0309 0.0562
Echinococcus granulosus serine:threonine protein kinase haspin 0.0646 0.5443 1
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Entamoeba histolytica hypothetical protein 0.0104 0.0568 0.1302
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0104 0.0568 0.1302
Trichomonas vaginalis AGC family protein kinase 0.0116 0.0678 0.157
Echinococcus multilocularis hypothetical protein 0.0112 0.0634 0.1117
Brugia malayi GSG2 0.0646 0.5443 1
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0171 0.0315
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0116 0.0678 0.1198
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Echinococcus granulosus tm gpcr rhodopsin 0.0612 0.5141 0.9442
Loa Loa (eye worm) hypothetical protein 0.0081 0.036 0.0656
Schistosoma mansoni hypothetical protein 0.0646 0.5443 1
Schistosoma mansoni immunophilin 0.0044 0.0029 0.0054
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0646 0.5443 1
Mycobacterium ulcerans chitinase/cellulase 0.0064 0.0209 0.018
Brugia malayi endochitinase 0.0085 0.0391 0.0717
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0503 0.4161 1
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0081 0.036 0.4871
Onchocerca volvulus Putative endochitinase 0.0085 0.0391 0.2052
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Loa Loa (eye worm) hypothetical protein 0.0081 0.036 0.0656
Onchocerca volvulus Putative endochitinase 0.0085 0.0391 0.2052
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Loa Loa (eye worm) hypothetical protein 0.0099 0.0524 0.0954
Loa Loa (eye worm) hypothetical protein 0.0064 0.0209 0.038
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Giardia lamblia Kinase, CAMK CAMKL 0.0116 0.0678 0.157
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0116 0.0678 0.1198
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Loa Loa (eye worm) haspin protein kinase 0.0646 0.5443 0.992
Trichomonas vaginalis AGC family protein kinase 0.0116 0.0678 0.157
Echinococcus multilocularis dual specificity 0.0503 0.4161 0.7632
Echinococcus multilocularis dual specificity 0.0104 0.0568 0.0994
Echinococcus multilocularis cyclin dependent kinase 9 0.0116 0.0678 0.1198
Brugia malayi hypothetical protein 0.0646 0.5443 1
Trichomonas vaginalis AGC family protein kinase 0.0116 0.0678 0.157
Loa Loa (eye worm) hypothetical protein 0.012 0.0708 0.129
Plasmodium vivax hypothetical protein, conserved 0.0081 0.036 0.4871
Schistosoma mansoni hypothetical protein 0.012 0.0708 0.13
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Leishmania major UDP-galactopyranose mutase 0.0081 0.036 0.08
Loa Loa (eye worm) hypothetical protein 0.012 0.0708 0.129
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0104 0.0568 0.1302
Trichomonas vaginalis CMGC family protein kinase 0.0503 0.4161 1
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Plasmodium vivax hypothetical protein, conserved 0.012 0.0708 1
Trichomonas vaginalis CMGC family protein kinase 0.0503 0.4161 1
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Loa Loa (eye worm) hypothetical protein 0.0081 0.036 0.0656
Brugia malayi Protein kinase domain containing protein 0.0104 0.0568 0.1043
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0081 0.036 0.5
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0503 0.4161 1
Giardia lamblia Kinase, CMGC DYRK 0.0503 0.4161 1
Schistosoma mansoni hypothetical protein 0.0112 0.0634 0.1165
Schistosoma mansoni serine/threonine protein kinase 0.0503 0.4161 0.7645
Mycobacterium ulcerans monoamine oxidase 0.0081 0.036 0.0331
Brugia malayi SWIRM domain containing protein 0.0081 0.036 0.0661
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0171 0.0313
Entamoeba histolytica cell division protein kinase 2, putative 0.0116 0.0678 0.157
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0503 0.4161 0.7645
Mycobacterium ulcerans chitinase/cellulase 0.0064 0.0209 0.018
Leishmania major chitinase 0.0075 0.0309 0.0676
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0044 0.0029 0.5
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0044 0.0029 0.0054
Entamoeba histolytica chitinase, putative 0.0075 0.0309 0.0676
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0503 0.4161 0.7583
Brugia malayi hypothetical protein 0.0081 0.036 0.0661
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.0678 0.157
Loa Loa (eye worm) haspin protein kinase 0.0646 0.5443 0.992
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0612 0.5141 0.9442
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.012 0.0708 0.1253
Giardia lamblia Kinase, CAMK CAMKL 0.0116 0.0678 0.157
Trypanosoma cruzi UDP-galactopyranose mutase 0.0081 0.036 0.08
Loa Loa (eye worm) microfilarial chitinase 0.0073 0.0291 0.0529
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0116 0.0678 0.9563
Entamoeba histolytica protein kinase, putative 0.0104 0.0568 0.1302
Loa Loa (eye worm) hypothetical protein 0.0081 0.036 0.0656
Echinococcus granulosus Pfam-B_8186 domain containing protein 0.0112 0.0634 0.1117
Entamoeba histolytica protein kinase, putative 0.0503 0.4161 1
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Loa Loa (eye worm) cuticular endochitinase 0.0075 0.0309 0.0562
Trichomonas vaginalis serine/threonine kinase, putative 0.0116 0.0678 0.157
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Echinococcus granulosus lysine specific histone demethylase 1A 0.0081 0.036 0.061
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0081 0.036 0.0661
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0171 0.0315
Plasmodium vivax hypothetical protein, conserved 0.0081 0.036 0.4871
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1152 1 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0044 0.0029 0.0054
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.0678 0.157
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0116 0.0678 0.9563
Echinococcus multilocularis 0.0081 0.036 0.061
Trypanosoma cruzi UDP-galactopyranose mutase 0.0081 0.036 0.08
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0116 0.0678 0.1198
Echinococcus granulosus serine:threonine protein kinase haspin 0.0646 0.5443 1
Trichomonas vaginalis CMGC family protein kinase 0.0503 0.4161 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0081 0.036 0.0661
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0044 0.0029 0.0054
Loa Loa (eye worm) hypothetical protein 0.0099 0.0524 0.0954
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0503 0.4161 1
Trypanosoma brucei Mitogen-activated protein kinase 10, putative 0.0116 0.0678 0.157
Plasmodium falciparum MO15-related protein kinase 0.0116 0.0678 0.9563
Echinococcus multilocularis dual specificity 0.0503 0.4161 0.7632
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.0678 0.157
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0081 0.036 0.0331
Toxoplasma gondii hypothetical protein 0.012 0.0708 0.0915

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 14.7157 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) 20.5878 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 (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 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

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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