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Name | CHEMBL33050 |
---|---|
Molecular formula | C31H41N2O2+ |
IUPAC name | N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-propylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide |
Molecular weight | 473.681 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 6.6 |
Synonyms | BDBM50098628 1-Cyclooct-1-enylmethyl-1-propyl-4-[(9H-xanthene-9-carbonyl)-amino]-piperidinium; iodide CHEMBL1178571 |
Inchi Key | SIUACFTVVKAHHV-WYMPLXKRSA-O |
Inchi ID | InChI=1S/C31H40N2O2/c1-2-20-33(23-24-12-6-4-3-5-7-13-24)21-18-25(19-22-33)32-31(34)30-26-14-8-10-16-28(26)35-29-17-11-9-15-27(29)30/h8-12,14-17,25,30H,2-7,13,18-23H2,1H3/p+1/b24-12+ |
PubChem CID | 10531632 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50098628 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
315429 | C-C chemokine receptor type 1 | P32246 | CCR1 | Homo sapiens (Human) | 355 |
461935 | C-C chemokine receptor type 1 | P51675 | Ccr1 | Mus musculus (Mouse) | 355 |
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