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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	Secoverine
Molecular formula	C22H35NO2
IUPAC name	1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one
Molecular weight	345.527
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.1
Synonyms	1-Butanone, 1-cyclohexyl-4-(ethyl(2-(4-methoxyphenyl)-1-methylethyl)amino)- NSC_42470 Secoverinum 1-Cyclohexyl-4-(ethyl-(1-(4-methoxyphenyl)-2-poropyl)amino)-1-butanon CAS_57558-44-8 SCHEMBL457590 57558-44-8 L001295 1-Cyclohexyl-4-(ethyl(p-methoxy-alpha-methylphenethyl)amino)-1-butanone AC1L27WD PDSP1_000641 Secoverinum [INN-Latin] 1-Cyclohexyl-4-(ethyl-(p-methoxy-alpha-methylphenethyl)amino)-1-butanone CHEMBL2105414 Secoverina 57558-46-0 (hydrochloride) LS-175854 Secoverine [INN] 1-cyclohexyl-4-(ethyl(p-methoxy-alpha-methylphenyl)amino)-1-butanone BDBM81800 PDSP2_000636 secovorine 1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one DU 23849 Secoverina [INN-Spanish] [ Show all ]
Inchi Key	WAVYHSURRZBQKO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H35NO2/c1-4-23(16-8-11-22(24)20-9-6-5-7-10-20)18(2)17-19-12-14-21(25-3)15-13-19/h12-15,18,20H,4-11,16-17H2,1-3H3
PubChem CID	42470
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81800
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
368954	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
368957	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466
368956	Muscarinic acetylcholine receptor M3	P08483	Chrm3	Rattus norvegicus (Rat)	589
368955	Muscarinic acetylcholine receptor M4	P17200	CHRM4	Gallus gallus (Chicken)	490
462396	Muscarinic acetylcholine receptor M4	P08485	Chrm4	Rattus norvegicus (Rat)	478

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