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Name | CHEMBL1081442 |
---|---|
Molecular formula | C31H39F2N3O3 |
IUPAC name | [2-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-4-yl]-[4-(3,4-difluorophenyl)piperazin-1-yl]methanone |
Molecular weight | 539.668 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 6.1 |
Synonyms | N/A |
Inchi Key | AFTWAHVWWPISSD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H39F2N3O3/c1-21(14-22-6-9-29-30(15-22)39-20-38-29)17-34-18-23-4-2-3-5-25(23)26(19-34)31(37)36-12-10-35(11-13-36)24-7-8-27(32)28(33)16-24/h6-9,15-16,21,23,25-26H,2-5,10-14,17-20H2,1H3 |
PubChem CID | 46880639 |
ChEMBL | CHEMBL1081442 |
IUPHAR | N/A |
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 |
---|---|---|---|---|---|
4490 | Somatostatin receptor type 3 | P32745 | SSTR3 | Homo sapiens (Human) | 418 |
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