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Name | CHEMBL346154 |
---|---|
Molecular formula | C28H32N2O |
IUPAC name | (2R,3R)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine |
Molecular weight | 412.577 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 5.4 |
Synonyms | PDSP1_000655 BDBM50280461 ((2R,3R)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine CP-96,344 (2R,3R)-cis-2-(Diphenylmethyl)-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine [ Show all ] |
Inchi Key | FLNYLINBEZROPL-VSGBNLITSA-N |
Inchi ID | InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m1/s1 |
PubChem CID | 490428 |
ChEMBL | CHEMBL346154 |
IUPHAR | N/A |
BindingDB | 50280461 |
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 |
---|---|---|---|---|---|
81441 | Neuromedin-K receptor | P16177 | Tacr3 | Rattus norvegicus (Rat) | 452 |
81442 | Substance-K receptor | P51144 | TACR2 | Mesocricetus auratus (Golden hamster) | 384 |
81438 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
81439 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
81440 | Substance-P receptor | P14600 | Tacr1 | Rattus norvegicus (Rat) | 407 |
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