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Name | CHEMBL346711 |
---|---|
Molecular formula | C31H37ClFN5O4 |
IUPAC name | 4-chloro-N-[(2R)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide |
Molecular weight | 598.116 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 6.1 |
Synonyms | BDBM50139317 2-(4-Chloro-phenyl)-N-[(R)-2-(4-{3-[4-(5-cyclopentylmethyl-[1,2,4]oxadiazol-3-yl)-3-fluoro-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-acetamide |
Inchi Key | ALNCEGZMYYLYMF-OAQYLSRUSA-N |
Inchi ID | InChI=1S/C31H37ClFN5O4/c1-21(34-30(39)23-7-9-24(32)10-8-23)31(40)38-16-14-37(15-17-38)13-4-18-41-25-11-12-26(27(33)20-25)29-35-28(42-36-29)19-22-5-2-3-6-22/h7-12,20-22H,2-6,13-19H2,1H3,(H,34,39)/t21-/m1/s1 |
PubChem CID | 44374106 |
ChEMBL | CHEMBL346711 |
IUPHAR | N/A |
BindingDB | 50139317 |
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 |
---|---|---|---|---|---|
8418 | Histamine H3 receptor | Q9QYN8 | Hrh3 | Rattus norvegicus (Rat) | 445 |
8419 | Histamine H3 receptor | Q9Y5N1 | HRH3 | Homo sapiens (Human) | 445 |
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