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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	217645-70-0
Molecular formula	C21H24ClFN4O3
IUPAC name	[5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]urea
Molecular weight	434.896
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.5
Synonyms	AOB6547 BX-471 pound ZK 811752 pound(c) CS-3283 KB-81417 Urea, N-[5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-2-oxoethoxy]phenyl]- BDBM50174703 BX471 EX-A519 N-[5-Chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-2-oxoethoxy]phenyl]urea ZK811752 (2R)-1-[[2-[(Aminocarbonyl)amino]-4-chlorophenoxy]acetyl]-4-[(4-fluorophenyl)methyl]-2-methylpiperazine (R)-1-(5-chloro-2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea AC1LAE81 BX-471 CHEMBL232656 HY-12080 UNII-76K17ZG4ZN 3511AH B5435 BX-471free base D05XZF MolPort-035-765-692 ZINC22010574 (R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenyl)urea BDBM50208999 C21H24ClFN4O3 FT-0700265 NCGC00370909-03 [5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-2-oxo-ethoxy]phenyl]urea 1-(2-(2-((R)-4-(4-Fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenyl)urea AKOS024457640 BX-471 free base CHEMBL535607 J-690262 Urea, N-(5-chloro-2-(2-((2R)-4-((4-fluorophenyl)methyl)-2-methyl-1-piperazinyl)-2-oxoethoxy)phenyl)- BC600614 BX-741 DTXSID10176164 N-[5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-2-oxoethoxy]phenyl]-Urea ZK-811752 (2R)-1-(((4-Chloro-2-(ureido)phenoxy)methyl)carbonyl)-2-methyl-4-(4-fluorobenzyl)piperazine (R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenyl)urea hydrochloride 76K17ZG4ZN BX 471 GTPL767 SCHEMBL4586646 [5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]urea [ Show all ]
Inchi Key	XQYASZNUFDVMFH-CQSZACIVSA-N
Inchi ID	InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1
PubChem CID	512282
ChEMBL	CHEMBL232656
IUPHAR	767
BindingDB	50208999, 50174703
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
398740	C-C chemokine receptor type 1	P32246	CCR1	Homo sapiens (Human)	355
398741	C-C chemokine receptor type 1	P51675	Ccr1	Mus musculus (Mouse)	355

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