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Name | SMR000130086 |
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Molecular formula | C23H30N4O5S |
IUPAC name | N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide |
Molecular weight | 474.576 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 1.2 |
Synonyms | MLS002585838 N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide MCULE-8890430533 SR-01000543380-1 AC1MSXCE [ Show all ] |
Inchi Key | ADOOZFZMBVAYAL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H30N4O5S/c28-18(14-27-15-25-21-20(22(27)30)16-4-1-2-5-17(16)33-21)24-9-3-6-19(29)26-10-7-23(8-11-26)31-12-13-32-23/h15H,1-14H2,(H,24,28) |
PubChem CID | 3566531 |
ChEMBL | CHEMBL1467890 |
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 |
---|---|---|---|---|---|
463225 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218