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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	CHEMBL1688889
Molecular formula	C24H33N7O3
IUPAC name	6-[2-(dimethylamino)ethyl-methylamino]-1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[3,4-b]pyridine-5-carboxamide
Molecular weight	467.574
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.5
Synonyms	BDBM50339636 SCHEMBL18841098 1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-3-(3-isopropoxyphenyl)urea Hydrochloride ZINC595524 CHEMBL1739922
Inchi Key	MFORNGKVWCJAME-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
PubChem CID	9956238
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50339636
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
204241	C-C chemokine receptor type 1	P32246	CCR1	Homo sapiens (Human)	355
204239	C-C chemokine receptor type 2	P41597	CCR2	Homo sapiens (Human)	374
204245	C-C chemokine receptor type 2	P51683	Ccr2	Mus musculus (Mouse)	373
204246	C-C chemokine receptor type 2	O55193	Ccr2	Rattus norvegicus (Rat)	373
204244	C-C chemokine receptor type 3	P51677	CCR3	Homo sapiens (Human)	355
204242	C-C chemokine receptor type 4	P51679	CCR4	Homo sapiens (Human)	360
204243	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352
204240	C-X-C chemokine receptor type 1	P25024	CXCR1	Homo sapiens (Human)	350
204247	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360

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