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Name | MLS000080863 |
---|---|
Molecular formula | C14H20N2O3S |
IUPAC name | (2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid |
Molecular weight | 296.385 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 2.3 |
Synonyms | AKOS005503752 MolPort-002-655-894 SMR000045900 (2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid CHEMBL1577713 [ Show all ] |
Inchi Key | AAOBSPUWTDJXRC-LBPRGKRZSA-N |
Inchi ID | InChI=1S/C14H20N2O3S/c1-9-4-5-11(10(2)8-9)15-14(19)16-12(13(17)18)6-7-20-3/h4-5,8,12H,6-7H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1 |
PubChem CID | 664998 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 30780 |
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 |
---|---|---|---|---|---|
376 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
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