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Name | CHEMBL477643 |
---|---|
Molecular formula | C27H26ClN5O2S |
IUPAC name | N-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-3-thiophen-2-ylbenzamide |
Molecular weight | 520.048 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 4.0 |
Synonyms | BDBM50412997 |
Inchi Key | XCLSUCUSUODVIU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H26ClN5O2S/c1-18-21(17-33-27(35)25(28)23(16-30-33)32-12-10-29-11-13-32)7-3-8-22(18)31-26(34)20-6-2-5-19(15-20)24-9-4-14-36-24/h2-9,14-16,29H,10-13,17H2,1H3,(H,31,34) |
PubChem CID | 25208745 |
ChEMBL | CHEMBL477643 |
IUPHAR | N/A |
BindingDB | 50412997 |
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 |
---|---|---|---|---|---|
388439 | 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