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Name | CHEMBL357908 |
---|---|
Molecular formula | C39H43Cl2N3O2S |
IUPAC name | 3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-[(S)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-N-methyl-2-(2-methylpropyl)naphthalene-1-carboxamide |
Molecular weight | 688.752 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 8.7 |
Synonyms | N/A |
Inchi Key | MRZCGYOVOILRJR-REVLRVEDSA-N |
Inchi ID | InChI=1S/C39H43Cl2N3O2S/c1-26(2)21-34-31(24-42)22-29-9-5-6-11-33(29)38(34)39(45)43(3)25-30(28-13-14-35(40)36(41)23-28)17-20-44-18-15-27(16-19-44)32-10-7-8-12-37(32)47(4)46/h5-14,22-23,26-27,30H,15-21,25H2,1-4H3/t30-,47+/m1/s1 |
PubChem CID | 11193283 |
ChEMBL | CHEMBL357908 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
212824 | Substance-K receptor | P79218 | TACR2 | Oryctolagus cuniculus (Rabbit) | 384 |
212823 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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