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Name | SMR000006668 |
---|---|
Molecular formula | C26H33N3O5 |
IUPAC name | N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-3,4,5-trimethoxybenzamide |
Molecular weight | 467.566 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 3.6 |
Synonyms | MLS-0020556.0001 N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-3,4,5-trimethoxybenzamide AKOS000755357 MLS-0020556.0004 CHEMBL1386274 [ Show all ] |
Inchi Key | GBPZEGDRVCGMTG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H33N3O5/c1-32-22-12-17(13-23(33-2)25(22)34-3)26(31)28-19-14-20-10-7-11-21(15-19)29(20)16-24(30)27-18-8-5-4-6-9-18/h4-6,8-9,12-13,19-21H,7,10-11,14-16H2,1-3H3,(H,27,30)(H,28,31) |
PubChem CID | 653186 |
ChEMBL | CHEMBL1386274 |
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 |
---|---|---|---|---|---|
474306 | C-C chemokine receptor type 6 | P51684 | CCR6 | Homo sapiens (Human) | 374 |
474307 | C-X-C chemokine receptor type 4 | P61073 | CXCR4 | Homo sapiens (Human) | 352 |
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