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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	TCMDC-123910
Molecular formula	C25H26N4O3
IUPAC name	5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-tert-butyl-1-phenyl-7H-pyrazolo[3,4-b]pyridin-6-one
Molecular weight	430.508
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.6
Synonyms	CHEBI:117021 cid_1449937 5-{[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-methyl}-3-tert-butyl-1-phenyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one SMR000124783 ASN 09984034 3-tert-butyl-1-phenyl-5-[(piperonylamino)methyl]-2H-pyrazolo[3,4-b]pyridin-6-one HMS2506C10 BDBM61425 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-tert-butyl-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one CHEMBL528068 MLS000067286 AC1LT2IS [ Show all ]
Inchi Key	BFNFGKQFSSNIEE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H26N4O3/c1-25(2,3)22-19-12-17(14-26-13-16-9-10-20-21(11-16)32-15-31-20)24(30)27-23(19)29(28-22)18-7-5-4-6-8-18/h4-12,26H,13-15H2,1-3H3,(H,27,30)
PubChem CID	135417938
ChEMBL	CHEMBL528068
IUPHAR	N/A
BindingDB	61425
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
557970	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319
557971	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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