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Name | SMR000102200 |
---|---|
Molecular formula | C21H28N2O3 |
IUPAC name | 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol |
Molecular weight | 356.466 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.7 |
Synonyms | BDBM31038 MLS002539668 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol CHEMBL1511639 AC1LQJ9F [ Show all ] |
Inchi Key | FMKSCNHGTVSCMD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H28N2O3/c1-15-6-5-7-18(16(15)2)23-10-8-22(9-11-23)14-17-12-19(25-3)21(24)20(13-17)26-4/h5-7,12-13,24H,8-11,14H2,1-4H3 |
PubChem CID | 1377033 |
ChEMBL | CHEMBL1511639 |
IUPHAR | N/A |
BindingDB | 31038 |
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 |
---|---|---|---|---|---|
81987 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
81986 | 5-hydroxytryptamine receptor 1E | P28566 | HTR1E | Homo sapiens (Human) | 365 |
81988 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
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