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Name | CHEMBL3965479 |
---|---|
Molecular formula | C27H32N8O2 |
IUPAC name | 4-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazine-2-carbonyl]piperazin-2-one |
Molecular weight | 500.607 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 2.1 |
Synonyms | SCHEMBL13491104 |
Inchi Key | BAFPWLDFTJYFFW-GOSISDBHSA-N |
Inchi ID | InChI=1S/C27H32N8O2/c1-18-16-33(26-20(3)19(2)22(31-32-26)13-21-7-5-4-6-8-21)11-12-35(18)24-15-29-23(14-30-24)27(37)34-10-9-28-25(36)17-34/h4-8,14-15,18H,9-13,16-17H2,1-3H3,(H,28,36)/t18-/m1/s1 |
PubChem CID | 59191489 |
ChEMBL | CHEMBL3965479 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
536460 | Smoothened homolog | Q99835 | SMO | Homo sapiens (Human) | 787 |
536461 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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