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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	MLS001073551
Molecular formula	C21H27F2N3O2
IUPAC name	[3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
Molecular weight	391.463
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.7
Synonyms	[3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone cid_24794275 [3-(2,4-difluorobenzyl)-3-methylol-piperidino]-(5-isobutyl-1H-pyrazol-3-yl)methanone [3-[[2,4-bis(fluoranyl)phenyl]methyl]-3-(hydroxymethyl)piperidin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone HMS2954M05 MolPort-005-027-043 [3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidinyl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone CHEMBL1335692 MCULE-3513316515 SMR000654397 BDBM62162 [ Show all ]
Inchi Key	DEUXYPJVDMMKOO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H27F2N3O2/c1-14(2)8-17-10-19(25-24-17)20(28)26-7-3-6-21(12-26,13-27)11-15-4-5-16(22)9-18(15)23/h4-5,9-10,14,27H,3,6-8,11-13H2,1-2H3,(H,24,25)
PubChem CID	24794275
ChEMBL	CHEMBL1335692
IUPHAR	N/A
BindingDB	62162
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
58166	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
58165	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422
58164	Neuropeptides B/W receptor type 1	P48145	NPBWR1	Homo sapiens (Human)	328

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