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Name | CHEMBL3924243 |
---|---|
Molecular formula | C28H33ClN2O5 |
IUPAC name | N-(4-chloro-3-pyridin-2-ylphenyl)-2-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]acetamide |
Molecular weight | 513.031 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.1 |
Synonyms | BDBM50200498 |
Inchi Key | FYBFXVILVGDINR-WSGLMESZSA-N |
Inchi ID | InChI=1S/C28H33ClN2O5/c1-16-7-9-21-17(2)24(33-26-28(21)20(16)11-12-27(3,34-26)35-36-28)15-25(32)31-18-8-10-22(29)19(14-18)23-6-4-5-13-30-23/h4-6,8,10,13-14,16-17,20-21,24,26H,7,9,11-12,15H2,1-3H3,(H,31,32)/t16-,17-,20+,21+,24-,26-,27-,28-/m1/s1 |
PubChem CID | 134142019 |
ChEMBL | CHEMBL3924243 |
IUPHAR | N/A |
BindingDB | 50200498 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
548966 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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