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Name | CHEMBL34165 |
---|---|
Molecular formula | C29H39N2O2+ |
IUPAC name | N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide |
Molecular weight | 447.643 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 6.5 |
Synonyms | BDBM50098634 SCHEMBL8191775 1-Cyclooctylmethyl-1-methyl-4-[(9H-xanthene-9-carbonyl)-amino]-piperidinium; iodide CHEMBL1178601 |
Inchi Key | XRGRFIJPNWJGGI-UHFFFAOYSA-O |
Inchi ID | InChI=1S/C29H38N2O2/c1-31(21-22-11-5-3-2-4-6-12-22)19-17-23(18-20-31)30-29(32)28-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)28/h7-10,13-16,22-23,28H,2-6,11-12,17-21H2,1H3/p+1 |
PubChem CID | 10769447 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50098634 |
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 |
---|---|---|---|---|---|
398954 | C-C chemokine receptor type 1 | P32246 | CCR1 | Homo sapiens (Human) | 355 |
462625 | C-C chemokine receptor type 1 | P51675 | Ccr1 | Mus musculus (Mouse) | 355 |
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