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Name | CHEMBL1762705 |
---|---|
Molecular formula | C26H31BrClN7O |
IUPAC name | N-[(3-bromopyridin-4-yl)methyl]-2-[4-[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]-N-ethylacetamide |
Molecular weight | 572.936 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 4.4 |
Synonyms | BDBM50340751 N-((3-bromopyridin-4-yl)methyl)-2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-ethylacetamide |
Inchi Key | MLTPNRWKWZEDMK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H31BrClN7O/c1-2-34(18-21-8-10-29-17-23(21)27)25(36)19-33-13-15-35(16-14-33)24-9-12-31-26(32-24)30-11-7-20-3-5-22(28)6-4-20/h3-6,8-10,12,17H,2,7,11,13-16,18-19H2,1H3,(H,30,31,32) |
PubChem CID | 54581020 |
ChEMBL | CHEMBL1762705 |
IUPHAR | N/A |
BindingDB | 50340751 |
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 |
---|---|---|---|---|---|
208646 | Mas-related G-protein coupled receptor member X1 | Q96LB2 | MRGPRX1 | Homo sapiens (Human) | 322 |
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