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Name | CHEMBL346633 |
---|---|
Molecular formula | C28H32N2 |
IUPAC name | (2R,3R)-2-benzhydryl-N-[(2-methylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine |
Molecular weight | 396.578 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 5.8 |
Synonyms | BDBM50280469 [(2R,3R)-2-(2,2-Diphenyl-ethyl)-1-aza-bicyclo[2.2.2]oct-3-yl]-(2-methyl-benzyl)-amine |
Inchi Key | KHWRHXNNDGPGGG-VSGBNLITSA-N |
Inchi ID | InChI=1S/C28H32N2/c1-21-10-8-9-15-25(21)20-29-27-24-16-18-30(19-17-24)28(27)26(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24,26-29H,16-20H2,1H3/t27-,28-/m1/s1 |
PubChem CID | 15037919 |
ChEMBL | CHEMBL346633 |
IUPHAR | N/A |
BindingDB | 50280469 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
169541 | Neuromedin-K receptor | P16177 | Tacr3 | Rattus norvegicus (Rat) | 452 |
169540 | Substance-K receptor | P51144 | TACR2 | Mesocricetus auratus (Golden hamster) | 384 |
169539 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
169542 | Substance-P receptor | P14600 | Tacr1 | Rattus norvegicus (Rat) | 407 |
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