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Name | CHEMBL153042 |
---|---|
Molecular formula | C28H31ClN2 |
IUPAC name | (2R,3R)-2-benzhydryl-N-[2-(2-chlorophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine |
Molecular weight | 431.02 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 6.5 |
Synonyms | BDBM50280465 [2-(2-Chloro-phenyl)-ethyl]-[(2R,3R)-2-(2,2-diphenyl-ethyl)-1-aza-bicyclo[2.2.2]oct-3-yl]-amine |
Inchi Key | LKTXZRZNGUFCKQ-VSGBNLITSA-N |
Inchi ID | InChI=1S/C28H31ClN2/c29-25-14-8-7-9-21(25)15-18-30-27-24-16-19-31(20-17-24)28(27)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-14,24,26-28,30H,15-20H2/t27-,28-/m1/s1 |
PubChem CID | 15037920 |
ChEMBL | CHEMBL153042 |
IUPHAR | N/A |
BindingDB | 50280465 |
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 |
---|---|---|---|---|---|
189898 | Neuromedin-K receptor | P16177 | Tacr3 | Rattus norvegicus (Rat) | 452 |
189896 | Substance-K receptor | P51144 | TACR2 | Mesocricetus auratus (Golden hamster) | 384 |
189897 | Substance-P receptor | P14600 | Tacr1 | Rattus norvegicus (Rat) | 407 |
189899 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
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