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Name | CHEMBL295122 |
---|---|
Molecular formula | C31H33N3O |
IUPAC name | [(2R,4S)-2-benzyl-4-(quinolin-3-ylmethylamino)piperidin-1-yl]-(3,5-dimethylphenyl)methanone |
Molecular weight | 463.625 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 6.0 |
Synonyms | {(2R,4S)-2-Benzyl-4-[(quinolin-3-ylmethyl)-amino]-piperidin-1-yl}-(3,5-dimethyl-phenyl)-methanone BDBM50287395 SCHEMBL8821464 |
Inchi Key | UISKGTZVONGFBF-URLMMPGGSA-N |
Inchi ID | InChI=1S/C31H33N3O/c1-22-14-23(2)16-27(15-22)31(35)34-13-12-28(19-29(34)18-24-8-4-3-5-9-24)32-20-25-17-26-10-6-7-11-30(26)33-21-25/h3-11,14-17,21,28-29,32H,12-13,18-20H2,1-2H3/t28-,29+/m0/s1 |
PubChem CID | 44288758 |
ChEMBL | CHEMBL295122 |
IUPHAR | N/A |
BindingDB | 50287395 |
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 |
---|---|---|---|---|---|
337795 | Neuromedin-K receptor | P29371 | TACR3 | Homo sapiens (Human) | 465 |
337796 | Substance-K receptor | P05363 | TACR2 | Bos taurus (Bovine) | 384 |
337794 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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