Detailed information for compound 341913

Basic information

Technical information
  • TDR Targets ID: 341913
  • Name: 2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H- chromene-3-carbonitrile
  • MW: 338.357 | Formula: C19H18N2O4
  • H donors: 1 H acceptors: 1 LogP: 3.21 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)OC(=C(C2c1cc(OC)cc(c1)OC)C#N)N
  • InChi: 1S/C19H18N2O4/c1-22-12-4-5-15-17(9-12)25-19(21)16(10-20)18(15)11-6-13(23-2)8-14(7-11)24-3/h4-9,18H,21H2,1-3H3
  • InChiKey: FDNDSIRQZMJIDA-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-3-carbonitrile
  • 2-azanyl-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile

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
Brugia malayi hypothetical protein 0.1366 1 1
Brugia malayi G-protein coupled receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Schistosoma mansoni hypothetical protein 0.1366 1 1
Schistosoma mansoni adenoreceptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Brugia malayi ORL1-like opioid receptor 0.1366 1 1
Echinococcus granulosus orexin receptor type 2 0.1366 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Brugia malayi hypothetical protein 0.1366 1 1
Echinococcus granulosus fmrfamide receptor 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1366 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.1366 1 1
Schistosoma mansoni opsin-like receptor 0.1366 1 1
Echinococcus multilocularis g protein coupled receptor 0.1366 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1366 1 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.1366 1 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.1366 1 1
Echinococcus multilocularis orexin receptor type 2 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Schistosoma mansoni neuropeptide receptor 0.1366 1 1
Echinococcus granulosus neuropeptide FF receptor 2 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis fmrfamide receptor 0.1366 1 1
Brugia malayi putative neuropeptide receptor NPR1 0.1366 1 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.1366 1 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.1366 1 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.1366 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.1366 1 1
Brugia malayi hypothetical protein 0.1366 1 1
Brugia malayi hypothetical protein 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Brugia malayi GnHR receptor homolog 0.1366 1 1
Echinococcus granulosus g protein coupled receptor 0.1366 1 1
Echinococcus multilocularis allatostatin A receptor 0.1366 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.1366 1 1
Echinococcus granulosus neuropeptide s receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.1366 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1366 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1366 1 1
Schistosoma mansoni neuropeptide receptor 0.1366 1 1
Mycobacterium leprae SECRETED ANTIGEN 85-C FBPC (85C) (ANTIGEN 85 COMPLEX C) (AG58C) (MYCOLYL TRANSFERASE 85C) (FIBRONECTIN-BINDING PROTEIN C) 0.0891 0.516 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.1366 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus granulosus neuropeptide receptor 0.1366 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.1366 1 1
Leishmania major C-8 sterol isomerase-like protein 0.0384 0 0.5
Schistosoma mansoni neuropeptide receptor 0.1366 1 1
Brugia malayi putative neuropeptide receptor 0.1366 1 1
Echinococcus multilocularis serotonin receptor 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.1366 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.1366 1 1
Echinococcus multilocularis fmrfamide receptor 0.1366 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Schistosoma mansoni amine GPCR 0.1366 1 1
Brugia malayi larval opioid receptor 0.1366 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.1366 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.1366 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Schistosoma mansoni amine GPCR 0.1366 1 1
Brugia malayi AKH receptor 0.1366 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1366 1 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.1366 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Brugia malayi hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Schistosoma mansoni amine GPCR 0.1366 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.1366 1 1
Loa Loa (eye worm) TYRA-2 protein 0.1366 1 1
Schistosoma mansoni hypothetical protein 0.1366 1 1
Echinococcus granulosus neuropeptide receptor 0.1366 1 1
Schistosoma mansoni neuropeptide receptor 0.1366 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Brugia malayi G protein-coupled receptor 0.1366 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.1366 1 1
Echinococcus multilocularis g-protein coupled receptor 0.1366 1 1
Schistosoma mansoni myosin xvIII 0.1366 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.1366 1 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Brugia malayi hypothetical protein 0.1366 1 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.1366 1 1
Echinococcus granulosus g protein coupled receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Schistosoma mansoni amine GPCR 0.1366 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.1366 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.1366 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1366 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.1366 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.1366 1 1
Loa Loa (eye worm) norepinephrine transporter 0.0478 0.0958 0.0958
Echinococcus multilocularis rhodopsin orphan GPCR 0.1366 1 1
Echinococcus granulosus g protein coupled receptor 0.1366 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1366 1 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.1366 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1366 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Mycobacterium ulcerans secreted antigen 85-C FbpC 0.0891 0.516 0.5
Trypanosoma brucei C-8 sterol isomerase, putative 0.0384 0 0.5
Echinococcus multilocularis serotonin receptor 0.1366 1 1
Brugia malayi sulfakinin receptor protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus granulosus neuropeptide receptor A26 0.1366 1 1
Echinococcus granulosus g-protein coupled receptor 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1366 1 1
Echinococcus granulosus hypothetical protein 0.1366 1 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.1366 1 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1366 1 1
Echinococcus granulosus somatostatin receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus granulosus neuropeptides capa receptor 0.1366 1 1
Schistosoma mansoni biogenic amine receptor 0.1366 1 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.1366 1 1
Brugia malayi hypothetical protein 0.1366 1 1
Echinococcus granulosus neuropeptide Y receptor 0.1366 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.1366 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1366 1 1
Schistosoma mansoni biogenic amine receptor 0.1366 1 1
Brugia malayi G-protein coupled receptor 0.1366 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.1366 1 1
Brugia malayi Dopamine receptor protein 2 0.1366 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0478 0.0958 0.0958
Schistosoma mansoni hypothetical protein 0.1366 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1366 1 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.1366 1 1
Brugia malayi Dopamine receptor protein 1 0.1366 1 1
Echinococcus granulosus neuropeptides capa receptor 0.1366 1 1
Brugia malayi Dopamine receptor 0.1366 1 1
Echinococcus multilocularis somatostatin receptor 0.1366 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1366 1 1
Mycobacterium tuberculosis Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C) 0.0891 0.516 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.1366 1 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Schistosoma mansoni opsin-like receptor 0.1366 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.1366 1 1
Brugia malayi Serotonin receptor 0.1366 1 1
Schistosoma mansoni growth hormone secretagogue receptor 0.1366 1 1
Schistosoma mansoni biogenic amine receptor 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Schistosoma mansoni opsin-like receptor 0.1366 1 1
Echinococcus multilocularis neuropeptide receptor 0.1366 1 1
Brugia malayi neuropeptide F receptor 0.1366 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1366 1 1
Echinococcus multilocularis neuropeptide s receptor 0.1366 1 1
Echinococcus multilocularis sex peptide receptor 0.1366 1 1
Echinococcus granulosus G protein coupled receptor 139 0.1366 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.1366 1 1
Echinococcus granulosus allatostatin A receptor 0.1366 1 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0478 0.0958 0.0958
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0384 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis g protein coupled receptor 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.1366 1 1
Brugia malayi Serotonin receptor 0.1366 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.1366 1 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.1366 1 1
Brugia malayi hypothetical protein 0.1366 1 1
Brugia malayi RE15519p 0.1366 1 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.1366 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.1366 1 1
Brugia malayi G protein-coupled receptor F59B2.13 0.1366 1 1
Echinococcus granulosus neuropeptide Y receptor 0.1366 1 1
Echinococcus multilocularis neuropeptide receptor 0.1366 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.1366 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.0478 0.0958 0.0958
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.1366 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Brugia malayi Melatonin receptor type 1A 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.1366 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.1366 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1366 1 1
Treponema pallidum sodium- and chloride- dependent transporter 0.0478 0.0958 0.5
Loa Loa (eye worm) hypothetical protein 0.0478 0.0958 0.0958
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) serotonin transporter b 0.0478 0.0958 0.0958
Brugia malayi follicle stimulating hormone receptor 0.1366 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.1366 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.1366 1 1
Echinococcus granulosus serotonin receptor 0.1366 1 1
Brugia malayi neuropeptide F receptor 0.1366 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1366 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.1366 1 1
Schistosoma mansoni neuropeptide f receptor 76f 0.1366 1 1
Schistosoma mansoni hypothetical protein 0.1366 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.1366 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.1366 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.1366 1 1
Echinococcus multilocularis g protein coupled receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.1366 1 1
Schistosoma mansoni amine GPCR 0.1366 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1366 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.1366 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.1366 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.1366 1 1
Echinococcus granulosus sex peptide receptor 0.1366 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.1366 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Brugia malayi hypothetical protein 0.1366 1 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.1366 1 1
Schistosoma mansoni histamine h1 receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.0478 0.0958 0.0958
Echinococcus multilocularis rhodopsin orphan GPCR 0.1366 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.824 Induction of apoptosis in human T47D cells ChEMBL. 17870538
EC50 (functional) = 0.015 uM Effective concentration against human breast cancer T47D cell line apoptosis inducing activity was measured by using cell and caspase-based HTS assay ChEMBL. 16143530
EC50 (functional) = 0.015 uM Effective concentration against human breast cancer T47D cell line apoptosis inducing activity was measured by using cell and caspase-based HTS assay ChEMBL. 16143530
EC50 (functional) = 0.032 uM Effective concentration against human non-small cell lung cancer H1299 cells inducing apoptosis, activity was measured by cell and caspase-based HTS assay ChEMBL. 16143530
EC50 (functional) = 0.032 uM Effective concentration against human non-small cell lung cancer H1299 cells inducing apoptosis, activity was measured by cell and caspase-based HTS assay ChEMBL. 16143530
GI50 (functional) = 0.014 uM Growth inhibition of human T47D cells after 48 hrs by sulforhodamine B assay ChEMBL. 24997684
Log (1/C) (functional) = 7.82 Induction of apoptosis in human HL60 B cells ChEMBL. 17658263
log(1/EC50) (functional) = 1.824 Induction of apoptosis in human T47D cells ChEMBL. 17870538

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 16143530

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

3 literature references were collected for this gene.

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