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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	CHEMBL161202
Molecular formula	C29H36FN5O5
IUPAC name	N-[(2R)-1-[4-[3-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-3-fluorophenoxy]propyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
Molecular weight	553.635
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	4.4
Synonyms	SCHEMBL7248946 BDBM50139279 Furan-2-carboxylic acid [(R)-2-(4-{3-[4-(5-cyclopentyl-[1,2,4]oxadiazol-3-yl)-3-fluoro-phenoxy]-propyl}-[1,4]diazepan-1-yl)-1-methyl-2-oxo-ethyl]-amide 3-[2-Fluoro-4-[3-[4-[(R)-2-(2-furanylcarbonylamino)propionyl]hexahydro-1H-1,4-diazepine-1-yl]propoxy]phenyl]-5-cyclopentyl-1,2,4-oxadiazole
Inchi Key	AHOYJVPDAHEACX-HXUWFJFHSA-N
Inchi ID	InChI=1S/C29H36FN5O5/c1-20(31-27(36)25-9-4-17-39-25)29(37)35-14-5-12-34(15-16-35)13-6-18-38-22-10-11-23(24(30)19-22)26-32-28(40-33-26)21-7-2-3-8-21/h4,9-11,17,19-21H,2-3,5-8,12-16,18H2,1H3,(H,31,36)/t20-/m1/s1
PubChem CID	44374162
ChEMBL	CHEMBL161202
IUPHAR	N/A
BindingDB	50139279
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
5778	Histamine H3 receptor	Q9QYN8	Hrh3	Rattus norvegicus (Rat)	445
5779	Histamine H3 receptor	Q9Y5N1	HRH3	Homo sapiens (Human)	445

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