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Name | CHEMBL1202234 |
---|---|
Molecular formula | C29H31BrN2O2 |
IUPAC name | (4aR,5aS,8aS,13aS,15aS,15bR)-6-(2-phenylethyl)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one;bromide |
Molecular weight | 519.483 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | None |
Synonyms | N-Phenylethyl Strychnine Bromide |
Inchi Key | BLDWBPZYUVTXRR-DBYHAXBSSA-M |
Inchi ID | InChI=1S/C29H31N2O2.BrH/c32-26-17-24-27-21-16-25-29(22-8-4-5-9-23(22)30(26)28(27)29)12-14-31(25,18-20(21)11-15-33-24)13-10-19-6-2-1-3-7-19;/h1-9,11,21,24-25,27-28H,10,12-18H2;1H/q+1;/p-1/t21-,24-,25-,27-,28-,29+,31?;/m0./s1 |
PubChem CID | 10529938 |
ChEMBL | CHEMBL1202234 |
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 |
---|---|---|---|---|---|
26452 | Muscarinic acetylcholine receptor M1 | P11229 | CHRM1 | Homo sapiens (Human) | 460 |
26451 | Muscarinic acetylcholine receptor M2 | P08172 | CHRM2 | Homo sapiens (Human) | 466 |
26450 | Muscarinic acetylcholine receptor M3 | P20309 | CHRM3 | Homo sapiens (Human) | 590 |
26453 | Muscarinic acetylcholine receptor M4 | P08173 | CHRM4 | Homo sapiens (Human) | 479 |
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