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Name | CHEMBL128723 |
---|---|
Molecular formula | C36H34Cl2N4O2S |
IUPAC name | 3,6-dicyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-[(S)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamide |
Molecular weight | 657.654 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 6.8 |
Synonyms | N/A |
Inchi Key | BSSVREWDZWQWLT-UDKJZQBVSA-N |
Inchi ID | InChI=1S/C36H34Cl2N4O2S/c1-41(36(43)32-19-25(22-40)18-29-17-24(21-39)7-9-30(29)32)23-28(27-8-10-33(37)34(38)20-27)13-16-42-14-11-26(12-15-42)31-5-3-4-6-35(31)45(2)44/h3-10,17-20,26,28H,11-16,23H2,1-2H3/t28-,45+/m1/s1 |
PubChem CID | 11039595 |
ChEMBL | CHEMBL128723 |
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 |
---|---|---|---|---|---|
31970 | Substance-K receptor | P79218 | TACR2 | Oryctolagus cuniculus (Rabbit) | 384 |
31971 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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