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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL445134
Molecular formula	C21H35NO3
IUPAC name	(3S,3aR,4R,4aS,8aR,9aS)-4-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Molecular weight	349.515
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.0
Synonyms	(3S)-3beta-Methyl-4alpha-[3-(4-hydroxypiperidino)propyl]-1,3,3abeta,4,4aalpha,5,6,7,8,8abeta,9,9abeta-dodecahydronaphtho[2,3-c]furan-1-one BDBM50076097 (3S,3aR,4R,4aS,8aR,9aS)-4-[3-(4-Hydroxy-piperidin-1-yl)-propyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one
Inchi Key	AKFIRFVMMKACOO-LUGRNRNJSA-N
Inchi ID	InChI=1S/C21H35NO3/c1-14-20-18(7-4-10-22-11-8-16(23)9-12-22)17-6-3-2-5-15(17)13-19(20)21(24)25-14/h14-20,23H,2-13H2,1H3/t14-,15+,17-,18+,19-,20+/m0/s1
PubChem CID	44382864
ChEMBL	CHEMBL445134
IUPHAR	N/A
BindingDB	50076097
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
7487	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
7488	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466

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