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Name | SMR000029149 |
---|---|
Molecular formula | C25H30N4O4S |
IUPAC name | N-[2-(3,4-diethoxyphenyl)ethyl]-2-(12-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)butanamide |
Molecular weight | 482.599 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 4.4 |
Synonyms | HMS2482K24 AC1MMQ9L MLS000863502 MCULE-7636219856 AKOS001870569 [ Show all ] |
Inchi Key | AFIAJHYZDKXGIX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H30N4O4S/c1-5-18(29-25(31)20-15-23-19(11-13-34-23)28(20)16(4)27-29)24(30)26-12-10-17-8-9-21(32-6-2)22(14-17)33-7-3/h8-9,11,13-15,18H,5-7,10,12H2,1-4H3,(H,26,30) |
PubChem CID | 3242737 |
ChEMBL | CHEMBL1374191 |
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 |
---|---|---|---|---|---|
4170 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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