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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	CHEMBL391238
Molecular formula	C24H31ClFN5O3
IUPAC name	1-(2-aminoethyl)-3-[5-chloro-2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]urea
Molecular weight	491.992
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	2.4
Synonyms	BDBM50209006 CSQYMOVFKFPVDB-DLBZAZTESA-N 1-(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenyl)-3-(2-aminoethyl)urea (2R,5S)-1-(2-Amino-ethyl)-3-(5-chloro-2-[2-[4-(4-fluoro-benzyl)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy]-phenyl)-urea SCHEMBL6832213 (2R,5S)-1-(2-Amino-ethyl)-3-(5-chloro-2-{2-[4-(4-fluoro-benzyl)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-phenyl)-urea [ Show all ]
Inchi Key	CSQYMOVFKFPVDB-DLBZAZTESA-N
Inchi ID	InChI=1S/C24H31ClFN5O3/c1-16-13-31(17(2)12-30(16)14-18-3-6-20(26)7-4-18)23(32)15-34-22-8-5-19(25)11-21(22)29-24(33)28-10-9-27/h3-8,11,16-17H,9-10,12-15,27H2,1-2H3,(H2,28,29,33)/t16-,17+/m0/s1
PubChem CID	12112109
ChEMBL	CHEMBL391238
IUPHAR	N/A
BindingDB	50209006
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
49660	C-C chemokine receptor type 1	P32246	CCR1	Homo sapiens (Human)	355

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