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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	CHEMBL47775
Molecular formula	C32H42N4O
IUPAC name	N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide
Molecular weight	498.715
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	6.4
Synonyms	BDBM50099638 N-[(S)-1-Cyclohexylethyl]-3-(4-isopropylpiperazinomethyl)-2-phenylquinoline-4-carboxamide 3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid (1-cyclohexyl-ethyl)-amide
Inchi Key	AXFMOMFMMVHXGZ-DEOSSOPVSA-N
Inchi ID	InChI=1S/C32H42N4O/c1-23(2)36-20-18-35(19-21-36)22-28-30(32(37)33-24(3)25-12-6-4-7-13-25)27-16-10-11-17-29(27)34-31(28)26-14-8-5-9-15-26/h5,8-11,14-17,23-25H,4,6-7,12-13,18-22H2,1-3H3,(H,33,37)/t24-/m0/s1
PubChem CID	9872857
ChEMBL	CHEMBL47775
IUPHAR	N/A
BindingDB	50099638
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
16664	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400
16666	Neuromedin-K receptor	P29371	TACR3	Homo sapiens (Human)	465
16665	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398

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