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Name | CHEMBL2373196 |
---|---|
Molecular formula | C34H36Cl2N2O2S |
IUPAC name | N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(4-methylsulfinylphenyl)piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamide |
Molecular weight | 607.634 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 7.4 |
Synonyms | N-Methyl-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[4-(methylsulfinyl)phenyl]piperidino]butyl]naphthalene-1-carboxamide |
Inchi Key | ACNHJYRXEIAIIT-MEUHZGSUSA-N |
Inchi ID | InChI=1S/C34H36Cl2N2O2S/c1-37(34(39)31-9-5-7-26-6-3-4-8-30(26)31)23-28(27-12-15-32(35)33(36)22-27)18-21-38-19-16-25(17-20-38)24-10-13-29(14-11-24)41(2)40/h3-15,22,25,28H,16-21,23H2,1-2H3/t28-,41?/m1/s1 |
PubChem CID | 73354841 |
ChEMBL | CHEMBL2373196 |
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 |
---|---|---|---|---|---|
1721 | Substance-K receptor | P79218 | TACR2 | Oryctolagus cuniculus (Rabbit) | 384 |
1720 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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