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Name | MLS000093986 |
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Molecular formula | C23H26N4O5 |
IUPAC name | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)propanamide |
Molecular weight | 438.484 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.0 |
Synonyms | 2-(1-ethyl-4-keto-furo[3,4]pyrrolo[3,5-c][1,2,4]triazin-3-yl)-N-homoveratryl-propionamide cid_3240468 N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-ethyl-4-oxo-3-furo[3,4]pyrrolo[3,5-c][1,2,4]triazinyl)propanamide AKOS001854181 MCULE-1351452343 [ Show all ] |
Inchi Key | AAHQEVWTRLMJPC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H26N4O5/c1-5-21-25-27(23(29)17-13-19-16(26(17)21)9-11-32-19)14(2)22(28)24-10-8-15-6-7-18(30-3)20(12-15)31-4/h6-7,9,11-14H,5,8,10H2,1-4H3,(H,24,28) |
PubChem CID | 3240468 |
ChEMBL | CHEMBL1461130 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
216 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
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