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Name | CHEMBL388884 |
---|---|
Molecular formula | C23H26BrN5O4 |
IUPAC name | [(4aR,8aS)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-(5-bromofuran-2-yl)methanone |
Molecular weight | 516.396 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 4.4 |
Synonyms | BDBM50411350 |
Inchi Key | CKDALLRCYSNSRF-JKSUJKDBSA-N |
Inchi ID | InChI=1S/C23H26BrN5O4/c1-31-18-11-13-14(12-19(18)32-2)26-23(27-21(13)25)29-10-9-28(15-5-3-4-6-16(15)29)22(30)17-7-8-20(24)33-17/h7-8,11-12,15-16H,3-6,9-10H2,1-2H3,(H2,25,26,27)/t15-,16+/m0/s1 |
PubChem CID | 44428845 |
ChEMBL | CHEMBL388884 |
IUPHAR | N/A |
BindingDB | 50411350 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
43922 | Alpha-1A adrenergic receptor | P43140 | Adra1a | Rattus norvegicus (Rat) | 466 |
43925 | Alpha-1A adrenergic receptor | P35348 | ADRA1A | Homo sapiens (Human) | 466 |
43921 | Alpha-1B adrenergic receptor | P15823 | Adra1b | Rattus norvegicus (Rat) | 515 |
43924 | Alpha-1B adrenergic receptor | P35368 | ADRA1B | Homo sapiens (Human) | 520 |
43923 | Alpha-1D adrenergic receptor | P23944 | Adra1d | Rattus norvegicus (Rat) | 561 |
43926 | Alpha-1D adrenergic receptor | P25100 | ADRA1D | Homo sapiens (Human) | 572 |
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