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Name | CHEMBL538520 |
---|---|
Molecular formula | C16H16BrNO2 |
IUPAC name | (1S,3S)-1-(aminomethyl)-6-bromo-3-phenyl-3,4-dihydro-1H-isochromen-5-ol |
Molecular weight | 334.213 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 2.6 |
Synonyms | BDBM50008829 1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hydrochloride CHEMBL1189332 (1S)-1beta-(Aminomethyl)-6-bromo-3,4-dihydro-3alpha-phenyl-1H-2-benzopyran-5-ol |
Inchi Key | SIPQEKQXLUBVAY-LSDHHAIUSA-N |
Inchi ID | InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15+/m0/s1 |
PubChem CID | 15711870 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50008829 |
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 |
---|---|---|---|---|---|
567146 | D(1) dopamine receptor | P35406 | Carassius auratus (Goldfish) | 363 | |
315301 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
315302 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
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