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Name | CHEMBL3094128 |
---|---|
Molecular formula | C27H35N3O4 |
IUPAC name | N-[(3S)-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide |
Molecular weight | 465.594 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 4.0 |
Synonyms | BDBM50443790 |
Inchi Key | AVVIXBQVVAAVHK-QHCPKHFHSA-N |
Inchi ID | InChI=1S/C27H35N3O4/c31-27(22-7-10-25-26(17-22)34-20-33-25)28-23-11-15-30(19-23)18-21-5-8-24(9-6-21)32-16-4-14-29-12-2-1-3-13-29/h5-10,17,23H,1-4,11-16,18-20H2,(H,28,31)/t23-/m0/s1 |
PubChem CID | 76317221 |
ChEMBL | CHEMBL3094128 |
IUPHAR | N/A |
BindingDB | 50443790 |
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 |
---|---|---|---|---|---|
15689 | Histamine H1 receptor | P35367 | HRH1 | Homo sapiens (Human) | 487 |
15690 | Histamine H3 receptor | Q9Y5N1 | HRH3 | Homo sapiens (Human) | 445 |
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