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Name | CHEMBL474474 |
---|---|
Molecular formula | C30H29ClN6O3 |
IUPAC name | 3-[4-[[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]carbamoyl]phenyl]benzamide |
Molecular weight | 557.051 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 3.2 |
Synonyms | BDBM50412986 |
Inchi Key | BOUOJMVWXKOEJX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H29ClN6O3/c1-19-24(18-37-30(40)27(31)26(17-34-37)36-14-12-33-13-15-36)6-3-7-25(19)35-29(39)21-10-8-20(9-11-21)22-4-2-5-23(16-22)28(32)38/h2-11,16-17,33H,12-15,18H2,1H3,(H2,32,38)(H,35,39) |
PubChem CID | 25209357 |
ChEMBL | CHEMBL474474 |
IUPHAR | N/A |
BindingDB | 50412986 |
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 |
---|---|---|---|---|---|
29145 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
29146 | 5-hydroxytryptamine receptor 2B | P41595 | HTR2B | Homo sapiens (Human) | 481 |
29147 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
29144 | Mas-related G-protein coupled receptor member X1 | Q96LB2 | MRGPRX1 | Homo sapiens (Human) | 322 |
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