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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	CHEMBL250689
Molecular formula	C28H36FN3O2
IUPAC name	1-(3-acetylphenyl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea
Molecular weight	465.613
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	5.2
Synonyms	1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)cyclohexyl)-3-(3-acetylphenyl)urea BDBM50209971 SCHEMBL6403335
Inchi Key	ASRDPULQBHFPGU-WFIHMLKPSA-N
Inchi ID	InChI=1S/C28H36FN3O2/c1-20(33)23-8-4-9-26(17-23)30-28(34)31-27-10-3-2-7-24(27)19-32-15-5-6-22(18-32)16-21-11-13-25(29)14-12-21/h4,8-9,11-14,17,22,24,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,34)/t22-,24-,27+/m0/s1
PubChem CID	11227406
ChEMBL	CHEMBL250689
IUPHAR	N/A
BindingDB	50209971
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
13456	5-hydroxytryptamine receptor 2A	P28223	HTR2A	Homo sapiens (Human)	471
13454	C-C chemokine receptor type 1	P32246	CCR1	Homo sapiens (Human)	355
13451	C-C chemokine receptor type 2	P41597	CCR2	Homo sapiens (Human)	374
13450	C-C chemokine receptor type 3	P51677	CCR3	Homo sapiens (Human)	355
13453	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352
13449	C-X-C chemokine receptor type 1	P25024	CXCR1	Homo sapiens (Human)	350
13457	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360
13452	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
13455	Probable C-C chemokine receptor type 3	P51678	Ccr3	Mus musculus (Mouse)	359

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