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Name | CHEMBL105383 |
---|---|
Molecular formula | C10H13NO3 |
IUPAC name | 1-(aminomethyl)-3,4-dihydro-1H-isochromene-6,7-diol |
Molecular weight | 195.218 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 0.0 |
Synonyms | 83694-58-0 1H-2-Benzopyran-6,7-diol, 1-(aminomethyl)-3,4-dihydro- BDBM50041914 1-(Aminomethyl)-3,4-dihydro-1H-2-benzopyran-6,7-diol 1-Aminomethyl-isochroman-6,7-diol |
Inchi Key | ICQJOAAZGCOTMT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C10H13NO3/c11-5-10-7-4-9(13)8(12)3-6(7)1-2-14-10/h3-4,10,12-13H,1-2,5,11H2 |
PubChem CID | 13864389 |
ChEMBL | CHEMBL105383 |
IUPHAR | N/A |
BindingDB | 50041914 |
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 |
---|---|---|---|---|---|
130026 | Beta-1 adrenergic receptor | P18090 | Adrb1 | Rattus norvegicus (Rat) | 466 |
130024 | Beta-2 adrenergic receptor | Q28044 | ADRB2 | Bos taurus (Bovine) | 418 |
130025 | Beta-2 adrenergic receptor | Q8K4Z4 | Adrb2 | Cavia porcellus (Guinea pig) | 418 |
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