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Name | Purmorphamine |
---|---|
Molecular formula | C31H32N6O2 |
IUPAC name | 9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine |
Molecular weight | 520.637 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 6.5 |
Synonyms | DA-05531 HY-15108 MolPort-019-939-216 QC-10453 SR-01000946316 [ Show all ] |
Inchi Key | FYBHCRQFSFYWPY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H32N6O2/c1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27/h4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35) |
PubChem CID | 5284329 |
ChEMBL | CHEMBL1221984 |
IUPHAR | N/A |
BindingDB | 50324671 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
90062 | Smoothened homolog | Q99835 | SMO | Homo sapiens (Human) | 787 |
538234 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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