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Name | CHEMBL2373193 |
---|---|
Molecular formula | C34H36Cl2N2O3S |
IUPAC name | N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfonylphenyl)piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamide |
Molecular weight | 623.633 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 7.5 |
Synonyms | N-Methyl-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-(methylsulfonyl)phenyl]piperidino]butyl]naphthalene-1-carboxamide |
Inchi Key | HNEQXRQEHKXJPY-HHHXNRCGSA-N |
Inchi ID | InChI=1S/C34H36Cl2N2O3S/c1-37(34(39)30-12-7-9-24-8-3-4-10-28(24)30)23-27(26-14-15-31(35)32(36)22-26)18-21-38-19-16-25(17-20-38)29-11-5-6-13-33(29)42(2,40)41/h3-15,22,25,27H,16-21,23H2,1-2H3/t27-/m1/s1 |
PubChem CID | 73351848 |
ChEMBL | CHEMBL2373193 |
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 |
---|---|---|---|---|---|
119308 | Substance-K receptor | P79218 | TACR2 | Oryctolagus cuniculus (Rabbit) | 384 |
119307 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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