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Name | G-1 |
---|---|
Molecular formula | C21H18BrNO3 |
IUPAC name | 1-[(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone |
Molecular weight | 412.283 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 4.6 |
Synonyms | SR-01000506928-1 1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)ethanone AKOS015969580 HY-107216 UNM000000675701 [ Show all ] |
Inchi Key | VHSVKVWHYFBIFJ-HKZYLEAXSA-N |
Inchi ID | InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1 |
PubChem CID | 5322399 |
ChEMBL | CHEMBL569766 |
IUPHAR | 1014 |
BindingDB | 50303803 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
355535 | G-protein coupled estrogen receptor 1 | Q99527 | GPER1 | Homo sapiens (Human) | 375 |
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