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Name | CHEMBL1256170 |
---|---|
Molecular formula | C41H45NO |
IUPAC name | 1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-4-[4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperidin-1-yl]butan-1-one |
Molecular weight | 567.817 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 0 |
XlogP | 9.2 |
Synonyms | BDBM50328453 4-[4-([2.2]Paracyclophan-4-yl)piperazin-1-yl]-1-([2.2]paracyclophan-4-yl)butan-1-one |
Inchi Key | AADWBQLQKGQDIM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C41H45NO/c43-41(40-29-35-14-12-31-5-9-33(10-6-31)16-20-37(40)22-18-35)2-1-25-42-26-23-38(24-27-42)39-28-34-13-11-30-3-7-32(8-4-30)15-19-36(39)21-17-34/h3-10,17-18,21-22,28-29,38H,1-2,11-16,19-20,23-27H2 |
PubChem CID | 52947756 |
ChEMBL | CHEMBL1256170 |
IUPHAR | N/A |
BindingDB | 50328453 |
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 |
---|---|---|---|---|---|
125 | 5-hydroxytryptamine receptor 2A | P50129 | HTR2A | Sus scrofa (Pig) | 470 |
126 | D(1A) dopamine receptor | P50130 | DRD1 | Sus scrofa (Pig) | 446 |
123 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
124 | D(3) dopamine receptor | P35462 | DRD3 | Homo sapiens (Human) | 400 |
521443 | D(4) dopamine receptor | P21917 | DRD4 | Homo sapiens (Human) | 467 |
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