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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	CHEMBL229112
Molecular formula	C29H36ClFN4O2
IUPAC name	3-(3-chloro-4-fluorophenyl)-1-[(3R,6S)-6-(3-cyanophenyl)-3-bicyclo[4.1.0]heptanyl]-1-[2-[[(2S)-1-hydroxypropan-2-yl]-propan-2-ylamino]ethyl]urea
Molecular weight	527.081
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.4
Synonyms	BDBM50215634 3-(3-chloro-4-fluorophenyl)-1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-1-(2-(((S)-1-hydroxypropan-2-yl)(isopropyl)amino)ethyl)urea
Inchi Key	NVOIKGFSSQURNJ-RTHBQKHKSA-N
Inchi ID	InChI=1S/C29H36ClFN4O2/c1-19(2)34(20(3)18-36)11-12-35(28(37)33-24-7-8-27(31)26(30)15-24)25-9-10-29(16-23(29)14-25)22-6-4-5-21(13-22)17-32/h4-8,13,15,19-20,23,25,36H,9-12,14,16,18H2,1-3H3,(H,33,37)/t20-,23?,25+,29+/m0/s1
PubChem CID	44424210
ChEMBL	CHEMBL229112
IUPHAR	N/A
BindingDB	50215634
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. 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
233233	Melanin-concentrating hormone receptor 1	Q8JZL2	Mchr1	Mus musculus (Mouse)	353
233234	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422

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