Detailed information for compound 341914

Basic information

Technical information
  • TDR Targets ID: 341914
  • Name: 2-amino-7-methoxy-4-(3-methoxyphenyl)-4H-chro mene-3-carbonitrile
  • MW: 308.331 | Formula: C18H16N2O3
  • H donors: 1 H acceptors: 1 LogP: 3.24 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)OC(=C(C2c1cccc(c1)OC)C#N)N
  • InChi: 1S/C18H16N2O3/c1-21-12-5-3-4-11(8-12)17-14-7-6-13(22-2)9-16(14)23-18(20)15(17)10-19/h3-9,17H,20H2,1-2H3
  • InChiKey: WKLKYONGSSJYLW-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

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

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.284 Induction of apoptosis in human T47D cells ChEMBL. 17870538
EC50 (functional) = 0.052 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) = 0.052 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) = 0.089 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) = 0.089 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) = 31.2 nM Growth inhibition of human CCRF-CEM cells after 48 hrs by sulforhodamine B assay ChEMBL. 24997684
Log (1/C) (functional) = 7.28 Induction of apoptosis in human HL60 B cells ChEMBL. 17658263
log(1/EC50) (functional) = 1.284 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.

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