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Ligand

NameCHEMBL565206
Molecular formulaC24H27NO
IUPAC name1-[3-[(1R,10S,13S)-15-methyl-15-azatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),5,7-trien-6-yl]phenyl]ethanone
Molecular weight345.486
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.5
SynonymsSCHEMBL12202270
BDBM50294066
1-[3-((4bS,6aS,9aR)-8-Methyl-5,6,6a,7,8,9,10,11-octahydro-4bH-benz[4,5]indeno[1,7a-c]pyrrol-2-yl)-phenyl]-ethanone
Inchi KeyAAYGPIMYNPLWPB-NHTMILBNSA-N
Inchi IDInChI=1S/C24H27NO/c1-16(26)17-4-3-5-18(12-17)19-6-8-22-20(13-19)10-11-24-15-25(2)14-21(24)7-9-23(22)24/h3-6,8,12-13,21,23H,7,9-11,14-15H2,1-2H3/t21-,23+,24+/m1/s1
PubChem CID44221508
ChEMBLCHEMBL565206
IUPHARN/A
BindingDB50294066
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
618Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445
619Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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