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Name | CHEMBL280751 |
---|---|
Molecular formula | C30H41N2O2+ |
IUPAC name | N-[1-(cyclooctylmethyl)-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide |
Molecular weight | 461.67 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 6.9 |
Synonyms | BDBM50098626 1-Cyclooctylmethyl-1-ethyl-4-[(9H-xanthene-9-carbonyl)-amino]-piperidinium; iodide CHEMBL1183117 |
Inchi Key | VIWYNYQMSZDNII-UHFFFAOYSA-O |
Inchi ID | InChI=1S/C30H40N2O2/c1-2-32(22-23-12-6-4-3-5-7-13-23)20-18-24(19-21-32)31-30(33)29-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)29/h8-11,14-17,23-24,29H,2-7,12-13,18-22H2,1H3/p+1 |
PubChem CID | 9894714 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50098626 |
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 |
---|---|---|---|---|---|
356241 | C-C chemokine receptor type 1 | P32246 | CCR1 | Homo sapiens (Human) | 355 |
462285 | C-C chemokine receptor type 1 | P51675 | Ccr1 | Mus musculus (Mouse) | 355 |
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