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Name | CHEMBL295651 |
---|---|
Molecular formula | C9H12FNO3 |
IUPAC name | 3-fluoro-4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol |
Molecular weight | 201.197 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 4 |
XlogP | 0.0 |
Synonyms | BDBM50087514 KB-148839 (S)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-benzene-1,2-diol ZINC13807918 1,2-benzenediol,3-fluoro-4-[(1s)-1-hydroxy-2-(methylamino)ethyl]- [ Show all ] |
Inchi Key | HGZKLMFEVVYGMO-SSDOTTSWSA-N |
Inchi ID | InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3/t7-/m1/s1 |
PubChem CID | 10488284 |
ChEMBL | CHEMBL295651 |
IUPHAR | N/A |
BindingDB | 50087514 |
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 |
---|---|---|---|---|---|
114724 | Beta-1 adrenergic receptor | P18090 | Adrb1 | Rattus norvegicus (Rat) | 466 |
114723 | Beta-2 adrenergic receptor | P54833 | ADRB2 | Canis lupus familiaris (Dog) | 415 |
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