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Name | CHEMBL289682 |
---|---|
Molecular formula | C30H39N2O+ |
IUPAC name | N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]anthracene-9-carboxamide |
Molecular weight | 443.655 |
Hydrogen bond acceptor | 1 |
Hydrogen bond donor | 1 |
XlogP | 7.8 |
Synonyms | 4-[(Anthracene-9-carbonyl)-amino]-1-cyclooctylmethyl-1-methyl-piperidinium; iodide CHEMBL1183306 BDBM50098652 |
Inchi Key | KJKAYCQJTLWQKJ-UHFFFAOYSA-O |
Inchi ID | InChI=1S/C30H38N2O/c1-32(22-23-11-5-3-2-4-6-12-23)19-17-26(18-20-32)31-30(33)29-27-15-9-7-13-24(27)21-25-14-8-10-16-28(25)29/h7-10,13-16,21,23,26H,2-6,11-12,17-20,22H2,1H3/p+1 |
PubChem CID | 10555068 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50098652 |
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 |
---|---|---|---|---|---|
170568 | C-C chemokine receptor type 1 | P32246 | CCR1 | Homo sapiens (Human) | 355 |
460747 | C-C chemokine receptor type 1 | P51675 | Ccr1 | Mus musculus (Mouse) | 355 |
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