Detailed information for compound 65816
Basic information
Technical information
- TDR Targets ID: 65816
- Name: 4-methoxy-7-methylfuro[3,2-g]chromen-5-one
- MW: 230.216 | Formula: C13H10O4
-
H donors: 0
H acceptors: 1
LogP: 2.29
Rotable bonds: 1
Rule of 5 violations (Lipinski): 1 - SMILES: COc1c2c(=O)cc(oc2cc2c1cco2)C
- InChi: 1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3
- InChiKey: NZVQLVGOZRELTG-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 4-methoxy-7-methyl-furo[3,2-g]chromen-5-one
- 4-methoxy-7-methyl-5-furo[3,2-g][1]benzopyranone
- visnagin
- 4-methoxy-7-methylpyrano[3,2-f][1]benzoxol-5-one
- 4-methoxy-7-methyl-pyrano[3,2-f]benzofuran-5-one
- 4-methoxy-7-methyl-5-pyrano[3,2-f]benzofuranone
- 4-methoxy-7-methyl-pyrano[3,2-f][1]benzoxol-5-one
- 82-57-5
- SDCCGMLS-0066603.P001
- 5H-FURO(3,2-g)(1)BENZOPYRAN-5-ONE, 4-METHOXY-7-METHYL-
- KBioGR_002251
- 4-Methoxy-7-methyl-5H-furo(3,2-g)(1)-benzopyran-5-one
- 4-Methoxy-7-methylfuro(3,2-g)chromen-5-one
- 5-19-06-00030 (Beilstein Handbook Reference)
- 5-Methoxy-2-methylfuranochromone
- ST5307139
- BRN 0234955
- Desmethoxykhellin
- EINECS 201-430-3
- NSC 100593
- Visnagidin
- Visnagine
- KBioSS_001707
- Oprea1_854963
- KBio3_002319
- C09049
- Spectrum4_001766
- 254932_ALDRICH
- 4-Methoxy-7-methyl-5H-furo[3,2-g][1]-benzopyran-5-one
- ZINC00120179
- KBio2_001707
- KBio2_004275
- DivK1c_006549
- LMPK02000029
- SPECTRUM310041
- BSPBio_003099
- Spectrum5_000351
- KBio2_006843
- SPBio_001751
- Spectrum_001227
- MEGxp0_000332
- Spectrum2_001796
- SpecPlus_000453
- Spectrum3_001340
- 5H-Furo[3,2-g][1]benzopyran-5-one, 4-methoxy-7-methyl-
- NSC100593
- NCGC00095626-01
- KBio1_001493
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | mitogen-activated protein kinase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
| Trypanosoma brucei | mitogen-activated protein kinase 5 | mitogen-activated protein kinase 1 | 360 aa | 361 aa | 33.2 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Trypanosoma cruzi | mitogen activated protein kinase 4, putative | 0.0062 | 1 | 1 |
| Echinococcus multilocularis | mitogen activated protein kinase 3 | 0.0062 | 1 | 0.5 |
| Leishmania major | mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 | 0.0062 | 1 | 1 |
| Trypanosoma cruzi | mitogen activated protein kinase 2, putative | 0.0062 | 1 | 1 |
| Echinococcus granulosus | mitogen activated protein kinase | 0.0062 | 1 | 0.5 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0062 | 1 | 0.5 |
| Toxoplasma gondii | CMGC kinase, MAPK family (ERK) MAPK-1 | 0.0062 | 1 | 0.5 |
| Trypanosoma brucei | protein kinase, putative | 0.0062 | 1 | 1 |
| Echinococcus granulosus | mitogen activated protein kinase 3 | 0.0062 | 1 | 0.5 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 0.5 |
| Loa Loa (eye worm) | CYP4Cod1 | 0.0015 | 0.0839 | 0.0839 |
| Giardia lamblia | Kinase, CMGC MAPK | 0.0062 | 1 | 0.5 |
| Trypanosoma brucei | mitogen activated protein kinase 4, putative | 0.0062 | 1 | 1 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.0015 | 0.0839 | 0.0839 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 0.5 |
| Loa Loa (eye worm) | CMGC/MAPK/ERK1 protein kinase | 0.0062 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 0.5 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0062 | 1 | 1 |
| Echinococcus multilocularis | mitogen activated protein kinase | 0.0062 | 1 | 0.5 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0062 | 1 | 1 |
| Mycobacterium ulcerans | cytochrome P450 185A4 Cyp185A4 | 0.0015 | 0.0839 | 0.5 |
| Leishmania major | mitogen activated protein kinase, putative,map kinase, putative | 0.0062 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 0.5 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.0015 | 0.0839 | 0.0839 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Inhibition (binding) | = 7 % | Inhibition of electric eel AChE at 2 mg/ml by Ellman's method | ChEMBL. | 23062825 |
| Inhibition (binding) | = 16.19 % | Inhibition of horse BChE at 2 mg/ml by Ellman's method | ChEMBL. | 23062825 |
| Inhibition (binding) | = 36 % | Percentage inhibition against Adenosine A1 receptor in rat brain membranes using [3H]-PIA | ChEMBL. | 8691424 |
| Inhibition (binding) | = 36 % | Percentage inhibition against Adenosine A1 receptor in rat brain membranes using [3H]-PIA | ChEMBL. | 8691424 |
| Inhibition (ADMET) | = 98.15139663 % | Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM | ChEMBL. | 23571415 |
| Inhibition (ADMET) | = 127.196247 % | Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM | ChEMBL. | 23571415 |
| Ki (binding) | = 42.4 uM | Binding affinity at Adenosine A2 receptor in rat striatal membranes by [3H]-CGS- 21680 displacement. | ChEMBL. | 8691424 |
| Ki (binding) | = 42.4 uM | Binding affinity at Adenosine A2 receptor in rat striatal membranes by [3H]-CGS- 21680 displacement. | ChEMBL. | 8691424 |
| Ki (binding) | = 60 uM | Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I]-AB-MECA 21680 radioligand. | ChEMBL. | 8691424 |
| Ki (binding) | = 60 uM | Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I]-AB-MECA 21680 radioligand. | ChEMBL. | 8691424 |
| Log Ki (binding) | = -1.78 uM | Ability to displace [125I]-AB-MECA binding from adenosine A3 receptor. | ChEMBL. | 9438021 |
| Log Ki (binding) | = -1.63 uM | Ability to displace [3H]-CGS- 21680 binding from adenosine A2A receptor. | ChEMBL. | 9438021 |
| Log Ki (binding) | 0 uM | Ability to displace [3H]-N6-phenylisopropyladenosine binding from Adenosine A1 receptor. | ChEMBL. | 9438021 |
| pKi(uM) (binding) | Ability to displace [3H]-N6-phenylisopropyladenosine binding from Adenosine A1 receptor. | ChEMBL. | 9438021 | |
| pKi(uM) (binding) | = -1.78 | Ability to displace [125I]-AB-MECA binding from adenosine A3 receptor. | ChEMBL. | 9438021 |
| pKi(uM) (binding) | = -1.63 | Ability to displace [3H]-CGS- 21680 binding from adenosine A2A receptor. | ChEMBL. | 9438021 |
| Potency (functional) | = 1.9953 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (ADMET) | = 3.1623 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
| Potency (ADMET) | = 3.1623 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
| Potency (functional) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 141.2538 um | PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Ratio (binding) | = 2 | Ratio of binding affinities between rA1 and rA3 of rat striatal membrane. | ChEMBL. | 8691424 |
| T/C (functional) | = 0.51 | Serum lipoprotein(VLDL+LDL) cholesterol alteration by the compound at 50 mg/Kg/day dose in normocholesterolemic Male S.E.A. Japanese quail with 5-7 weeks of age | ChEMBL. | 6644736 |
| T/C (functional) | = 1.21 | Total Serum HDL cholesterol alteration by the compound at 50 mg/kg/day dose in normocholesterolemic Male S.E.A. Japanese quail with 5-7 weeks of age | ChEMBL. | 6644736 |
| T/C (functional) | = 1.42 | Serum high density lipoprotein (HDL) cholesterol alteration by the compound at 50 mg/Kg/day dose in normocholesterolemic Male S.E.A. Japanese quail with 5-7 weeks of age | ChEMBL. | 6644736 |
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.
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
- Search by CAS
- ChEMBL: CHEMBL45176
- PubChem: 6716
Bibliographic References
4 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.