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Name | CHEMBL105071 |
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Molecular formula | C27H36N2O4S |
IUPAC name | 4-tert-butyl-N-[(3S)-1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-3-yl]benzenesulfonamide |
Molecular weight | 484.655 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.0 |
Synonyms | BDBM50119725 N-[(3S)-1-[3-[4-(Cyclopropylcarbonyl)phenoxy]propyl]pyrrolidine-3beta-yl]-4-tert-butylbenzenesulfonamide 4-tert-Butyl-N-{(S)-1-[3-(4-cyclopropanecarbonyl-phenoxy)-propyl]-pyrrolidin-3-yl}-benzenesulfonamide |
Inchi Key | BTXYSVCTMDAUJN-QHCPKHFHSA-N |
Inchi ID | InChI=1S/C27H36N2O4S/c1-27(2,3)22-9-13-25(14-10-22)34(31,32)28-23-15-17-29(19-23)16-4-18-33-24-11-7-21(8-12-24)26(30)20-5-6-20/h7-14,20,23,28H,4-6,15-19H2,1-3H3/t23-/m0/s1 |
PubChem CID | 44334369 |
ChEMBL | CHEMBL105071 |
IUPHAR | N/A |
BindingDB | 50119725 |
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 |
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32802 | Histamine H1 receptor | P35367 | HRH1 | Homo sapiens (Human) | 487 |
32801 | Histamine H2 receptor | P25021 | HRH2 | Homo sapiens (Human) | 359 |
32803 | Histamine H3 receptor | Q9QYN8 | Hrh3 | Rattus norvegicus (Rat) | 445 |
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