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Name | SCHEMBL18442513 |
---|---|
Molecular formula | C36H48N4O3 |
IUPAC name | 2-[(3S)-3-(aminomethyl)piperidine-1-carbonyl]-N-[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]-9H-xanthene-9-carboxamide |
Molecular weight | 584.805 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 5.5 |
Synonyms | SCHEMBL18442514 |
Inchi Key | AAPRNHKWNGDTOT-UXYOARKHSA-N |
Inchi ID | InChI=1S/C36H48N4O3/c37-23-27-12-9-19-40(25-27)36(42)28-15-16-33-31(22-28)34(30-13-7-8-14-32(30)43-33)35(41)38-29-17-20-39(21-18-29)24-26-10-5-3-1-2-4-6-11-26/h7-8,10,13-16,22,27,29,34H,1-6,9,11-12,17-21,23-25,37H2,(H,38,41)/b26-10+/t27-,34?/m0/s1 |
PubChem CID | 126523866 |
ChEMBL | N/A |
IUPHAR | 3696 |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
553249 | C-C chemokine receptor type 1 | P32246 | CCR1 | Homo sapiens (Human) | 355 |
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