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Ligand

NameCHEMBL3978813
Molecular formulaC23H29FN2O
IUPAC nameN-(5-fluoro-2-methylphenoxy)-4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]aniline
Molecular weight368.496
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.2
SynonymsSCHEMBL16090154
BDBM247466
US9453023, 25
Inchi KeyAHMNSAFIBBXPBS-UYJNAUHUSA-N
Inchi IDInChI=1S/C23H29FN2O/c1-16-5-9-20(24)15-23(16)27-25-21-10-6-18(7-11-21)19-8-12-22(14-19)26-13-3-4-17(26)2/h5-7,9-11,15,17,19,22,25H,3-4,8,12-14H2,1-2H3/t17-,19-,22?/m0/s1
PubChem CID90452853
ChEMBLCHEMBL3978813
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
536080Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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