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Ligand

NameCHEMBL27835
Molecular formulaC27H37N3O2
IUPAC name[4-[4-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]phenyl]-(2-methylpyrrolidin-1-yl)methanone
Molecular weight435.612
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50222961
Inchi KeyAZDCRZSQRSOKCG-QBGQUKIHSA-N
Inchi IDInChI=1S/C27H37N3O2/c1-21-6-4-17-30(21)27(31)24-9-7-22(8-10-24)23-11-13-26(14-12-23)32-19-5-16-29-18-15-25(20-29)28(2)3/h7-14,21,25H,4-6,15-20H2,1-3H3/t21?,25-/m0/s1
PubChem CID44275558
ChEMBLCHEMBL27835
IUPHARN/A
BindingDB50222961
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18044Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
18045Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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