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Name | CHEMBL3670936 |
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Molecular formula | C33H45N5O4 |
IUPAC name | tert-butyl N-[2-[4-[(E)-3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]prop-2-enyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-N-methylcarbamate |
Molecular weight | 575.754 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 4.9 |
Synonyms | [2-(4-{(E)-3-[4-(2-ethyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-phenyl]-allyl}-4-hydroxy-piperidin-1-yl)-2-oxo-ethyl]-methyl-carbamic acid tert-butyl ester SCHEMBL12802608 APNDVRBAKRJWQQ-MDZDMXLPSA-N US8748435, 7 BDBM123482 [ Show all ] |
Inchi Key | APNDVRBAKRJWQQ-MDZDMXLPSA-N |
Inchi ID | InChI=1S/C33H45N5O4/c1-8-28-27(30-34-23(2)20-24(3)38(30)35-28)21-26-13-11-25(12-14-26)10-9-15-33(41)16-18-37(19-17-33)29(39)22-36(7)31(40)42-32(4,5)6/h9-14,20,41H,8,15-19,21-22H2,1-7H3/b10-9+ |
PubChem CID | 68379132 |
ChEMBL | CHEMBL3670936 |
IUPHAR | N/A |
BindingDB | 123482 |
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 |
---|---|---|---|---|---|
11143 | G-protein coupled receptor 4 | P46093 | GPR4 | Homo sapiens (Human) | 362 |
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