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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	CHEMBL246106
Molecular formula	C24H29N3O5
IUPAC name	3-[[2-[[(1R)-1-(4-butylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight	439.512
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	4.6
Synonyms	SCHEMBL12087109 (R)-3-(2-(1-(4-butylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide BDBM50211453
Inchi Key	DYCPTIVMRFRWPY-MRXNPFEDSA-N
Inchi ID	InChI=1S/C24H29N3O5/c1-5-7-9-14-12-18(32-13-14)16(6-2)25-19-20(23(30)22(19)29)26-17-11-8-10-15(21(17)28)24(31)27(3)4/h8,10-13,16,25-26,28H,5-7,9H2,1-4H3/t16-/m1/s1
PubChem CID	10478354
ChEMBL	CHEMBL246106
IUPHAR	N/A
BindingDB	50211453
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
71874	C-X-C chemokine receptor type 1	P25024	CXCR1	Homo sapiens (Human)	350
71875	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360

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