General Information of the Compound
| Compound ID |
CP0170781
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-Dimethylamino-3-(4-ethyl-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Synonyms |
A 794282
A-794282
A794282
compound 1n [PMID: 16279797]
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N4OS
|
||||||||||||||||||
| Molecular Weight |
350.447
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VCUKKMIXURRDKL-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT02444, Metabotropic glutamate receptor 1
Protein ID: PT01748, Metabotropic glutamate receptor 2
Protein ID: PT02199, Metabotropic glutamate receptor 4
Protein ID: PT00854, Metabotropic glutamate receptor 5
Protein ID: PT01247, Metabotropic glutamate receptor 5
Protein ID: PT01311, Metabotropic glutamate receptor 7
Clinical Information about the Compound