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Name | CHEMBL3037938 |
---|---|
Molecular formula | C54H58Cl2N4O4 |
IUPAC name | (1S,9R,16S,18R,19R,20S,21S,29R,36S,38R,39R,40S)-15,35-bis[(4-methoxyphenyl)methyl]-10,30-dioxa-8,28-diaza-15,35-diazoniatridecacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022,27.029,39.033,38]tetratetraconta-2,4,6,12,22,24,26,32-octaene;dichloride |
Molecular weight | 897.982 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 0 |
XlogP | None |
Synonyms | N/A |
Inchi Key | DOCLEVBRLZJPHB-DUNHHUDBSA-L |
Inchi ID | InChI=1S/C54H58N4O4.2ClH/c1-59-37-15-11-33(12-16-37)29-57-23-21-53-41-7-3-5-9-43(41)55-49(53)47-39(27-45(53)57)35(31-57)19-25-61-51(47)56-44-10-6-4-8-42(44)54-22-24-58(30-34-13-17-38(60-2)18-14-34)32-36-20-26-62-52(55)48(50(54)56)40(36)28-46(54)58;;/h3-20,39-40,45-52H,21-32H2,1-2H3;2*1H/q+2;;/p-2/t39-,40-,45-,46-,47+,48+,49-,50-,51+,52+,53+,54+,57?,58?;;/m0../s1 |
PubChem CID | 11468657 |
ChEMBL | CHEMBL3037938 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
64885 | Muscarinic acetylcholine receptor M2 | P06199 | CHRM2 | Sus scrofa (Pig) | 466 |
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