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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	CHEMBL190068
Molecular formula	C27H30ClFN4O2
IUPAC name	3-(3-chloro-4-fluorophenyl)-1-[(1R,3R,6S)-6-(3-cyanophenyl)-3-bicyclo[4.1.0]heptanyl]-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]urea
Molecular weight	497.011
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.3
Synonyms	3-(3-Chloro-4-fluoro-phenyl)-1-[(1R,3R,6S)-6-(3-cyano-phenyl)-bicyclo[4.1.0]hept-3-yl]-1-[2-((R)-3-hydroxy-pyrrolidin-1-yl)-ethyl]-urea BDBM50164247
Inchi Key	KJGRXEJUJKUECU-PGTSUSQTSA-N
Inchi ID	InChI=1S/C27H30ClFN4O2/c28-24-14-21(4-5-25(24)29)31-26(35)33(11-10-32-9-7-23(34)17-32)22-6-8-27(15-20(27)13-22)19-3-1-2-18(12-19)16-30/h1-5,12,14,20,22-23,34H,6-11,13,15,17H2,(H,31,35)/t20-,22+,23+,27+/m0/s1
PubChem CID	11785261
ChEMBL	CHEMBL190068
IUPHAR	N/A
BindingDB	50164247
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
170463	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422
170464	Melanin-concentrating hormone receptor 1	Q8JZL2	Mchr1	Mus musculus (Mouse)	353
170462	Melanin-concentrating hormone receptor 2	Q969V1	MCHR2	Homo sapiens (Human)	340

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