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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	MLS000674599
Molecular formula	C24H28ClN5O5
IUPAC name	tert-butyl 4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
Molecular weight	501.968
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.7
Synonyms	4-[3-[(3-chloro-4-methoxyanilino)-oxomethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidinecarboxylic acid tert-butyl ester HMS1387F08 tert-butyl 4-[3-[(3-chloranyl-4-methoxy-phenyl)carbamoyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate AKOS001785053 MCULE-8116948586 ChemDiv2_006452 SMR000314041 HMS2684P14 tert-butyl 4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate BDBM57891 MLS-0243814.0001 4-[3-[(3-chloro-4-methoxy-phenyl)carbamoyl]-7-keto-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid tert-butyl ester cid_6619478 tert-butyl 4-(3-{[(3-chloro-4-methoxyphenyl)amino]carbonyl}-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate AC1O7SRC IDI1_005167 CHEMBL1354041 [ Show all ]
Inchi Key	CLCXJBMOHJFHMD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H28ClN5O5/c1-24(2,3)35-23(33)29-9-7-14(8-10-29)18-12-20(31)30-21(28-18)16(13-26-30)22(32)27-15-5-6-19(34-4)17(25)11-15/h5-6,11-14,26H,7-10H2,1-4H3,(H,27,32)
PubChem CID	6619478
ChEMBL	N/A
IUPHAR	N/A
BindingDB	57891
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
44629	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319

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