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Name | CHEMBL125498 |
---|---|
Molecular formula | C30H38N4O3S |
IUPAC name | (E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide |
Molecular weight | 534.719 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.9 |
Synonyms | SCHEMBL6318260 BDBM50066827 N-(5-Amino-5-methyl-2-hexenoyl)-N-methyl-3-(2-naphthyl)-D-Ala-N-methyl-3-(2-thienyl)-D-Ala-NHMe SCHEMBL6318254 (E)-5-Amino-5-methyl-hex-2-enoic acid methyl-{(R)-1-[methyl-((R)-1-methylcarbamoyl-2-thiophen-2-yl-ethyl)-carbamoyl]-2-naphthalen-2-yl-ethyl}-amide |
Inchi Key | NHBJGAPSMJFRON-YCGZWQSFSA-N |
Inchi ID | InChI=1S/C30H38N4O3S/c1-30(2,31)16-8-13-27(35)33(4)26(19-21-14-15-22-10-6-7-11-23(22)18-21)29(37)34(5)25(28(36)32-3)20-24-12-9-17-38-24/h6-15,17-18,25-26H,16,19-20,31H2,1-5H3,(H,32,36)/b13-8+/t25-,26-/m1/s1 |
PubChem CID | 10649999 |
ChEMBL | CHEMBL125498 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
223136 | Growth hormone secretagogue receptor type 1 | O08725 | Ghsr | Rattus norvegicus (Rat) | 364 |
223137 | Growth hormone secretagogue receptor type 1 | Q92847 | GHSR | Homo sapiens (Human) | 366 |
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