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Name | CHEMBL288244 |
---|---|
Molecular formula | C23H22Cl2FN3OS |
IUPAC name | (3,4-dichlorophenyl)-[4-fluoro-4-[[(6-thiophen-2-ylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone |
Molecular weight | 478.407 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.8 |
Synonyms | N-[[1-(3,4-Dichlorobenzoyl)-4-fluoro-4-piperidinyl]methyl]-6-(2-thienyl)-2-pyridinemethanamine SCHEMBL5200248 |
Inchi Key | ADGCARVTPQCUGH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H22Cl2FN3OS/c24-18-7-6-16(13-19(18)25)22(30)29-10-8-23(26,9-11-29)15-27-14-17-3-1-4-20(28-17)21-5-2-12-31-21/h1-7,12-13,27H,8-11,14-15H2 |
PubChem CID | 10719425 |
ChEMBL | CHEMBL288244 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
2249 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
2251 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
2250 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
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