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Name | CHEMBL1762696 |
---|---|
Molecular formula | C20H22ClN5O2S |
IUPAC name | 4-[2-[[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide |
Molecular weight | 431.939 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 3.9 |
Synonyms | BDBM50340741 4-(2-(2-(4-chlorophenethylamino)pyrimidin-4-ylamino)ethyl)benzenesulfonamide |
Inchi Key | UBWIYHMTQBCTLZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H22ClN5O2S/c21-17-5-1-15(2-6-17)10-13-24-20-25-14-11-19(26-20)23-12-9-16-3-7-18(8-4-16)29(22,27)28/h1-8,11,14H,9-10,12-13H2,(H2,22,27,28)(H2,23,24,25,26) |
PubChem CID | 54584004 |
ChEMBL | CHEMBL1762696 |
IUPHAR | N/A |
BindingDB | 50340741 |
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 |
---|---|---|---|---|---|
333016 | Mas-related G-protein coupled receptor member X1 | Q96LB2 | MRGPRX1 | Homo sapiens (Human) | 322 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218