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Name | CHEMBL474473 |
---|---|
Molecular formula | C29H29ClN6O3 |
IUPAC name | N-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-4-(6-methoxypyridin-3-yl)benzamide |
Molecular weight | 545.04 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 3.5 |
Synonyms | BDBM50412989 SCHEMBL1161850 |
Inchi Key | QIRVZVCPNDJFQS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H29ClN6O3/c1-19-23(18-36-29(38)27(30)25(17-33-36)35-14-12-31-13-15-35)4-3-5-24(19)34-28(37)21-8-6-20(7-9-21)22-10-11-26(39-2)32-16-22/h3-11,16-17,31H,12-15,18H2,1-2H3,(H,34,37) |
PubChem CID | 25209356 |
ChEMBL | CHEMBL474473 |
IUPHAR | N/A |
BindingDB | 50412989 |
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 |
---|---|---|---|---|---|
279296 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
279295 | 5-hydroxytryptamine receptor 2B | P41595 | HTR2B | Homo sapiens (Human) | 481 |
279297 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
279294 | Mas-related G-protein coupled receptor member X1 | Q96LB2 | MRGPRX1 | Homo sapiens (Human) | 322 |
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