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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Corticotropin-releasing factor receptor 1
Species	Homo sapiens (Human)
Gene	CRHR1
Synonym	CRHR CRH-R1 CRH-R-1 CRFR1 CRFR-1 CRF1 receptor Corticotropin-releasing hormone receptor 1 CRF 1 receptor CRF-R CRF-R-1 CRF-R1 CRF-R1alpha CRF-RA [ Show all ]
Disease	Major depressive disorder; Severe mood disorder Depression; Anxiety Depression Irritable bowel syndrome Anxiety disorder; Depression Anxiety disorder Alcohol use disorders; Major depressive disorder Staphylococcus aureus infection [ Show all ]
Length	444
Amino acid sequence	MGGHPQLRLVKALLLLGLNPVSASLQDQHCESLSLASNISGLQCNASVDLIGTCWPRSPAGQLVVRPCPAFFYGVRYNTTNNGYRECLANGSWAARVNYSECQEILNEEKKSKVHYHVAVIINYLGHCISLVALLVAFVLFLRLRPGCTHWGDQADGALEVGAPWSGAPFQVRRSIRCLRNIIHWNLISAFILRNATWFVVQLTMSPEVHQSNVGWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTYSTDRLRKWMFICIGWGVPFPIIVAWAIGKLYYDNEKCWFGKRPGVYTDYIYQGPMILVLLINFIFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDEVSRVVFIYFNSFLESFQGFFVSVFYCFLNSEVRSAIRKRWHRWQDKHSIRARVARAMSIPTSPTRVSFHSIKQSTAV
UniProt	P34998
Protein Data Bank	4z9g, 4k5y
GPCR-HGmod model	P34998
3D structure model	This structure is from PDB ID 4z9g.
BioLiP	BL0350036,BL0350037,BL0350038, BL0251208
Therapeutic Target Database	T45262
ChEMBL	CHEMBL1800
IUPHAR	212
DrugBank	BE0008658

Ligand

Name	CP-154526
Molecular formula	C23H32N4
IUPAC name	N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
Molecular weight	364.537
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	6.2
Synonyms	BDBM50369802 LS-139512 PDSP2_001283 AB07693 CHEMBL475903 CP154526 N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine ZINC1539133 157286-86-7 BCP26372 CP 154,526 GTPL3495 NCGC00378725-02 butyl-(2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)ethylamine CP-154526-1 N-BUTYL-N-ETHYL-2,5-DIMETHYL-7-(2,4,6-TRIMETHYLPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE SCHEMBL5707848 AC1NSJWW D02IOC N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[3,2-e]pyrimidin-4-amine BDBM50058163 CP-154,526 KB-76171 PDSP1_001299 9A549FB00R Butyl-ethyl-[2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine CP154,526 N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo(2,3-d)pyrimidin-4-amine UNII-9A549FB00R AKOS032946677 CHEMBL9946 FHQYJZCJRZHINA-UHFFFAOYSA-N N-butyl-N-ethyl-7-mesityl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine [ Show all ]
Inchi Key	FHQYJZCJRZHINA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
PubChem CID	5311055
ChEMBL	CHEMBL9946
IUPHAR	3495
BindingDB	50058163, 50369802
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	11.0 nM	PMID21414781	BindingDB,ChEMBL
IC50	15.85 nM	PMID17629700	ChEMBL
IC50	16.0 nM	PMID17629700	BindingDB
Ki	0.4 nM	PMID12649353	BindingDB
Ki	1.2 nM	PMID12649353	BindingDB
Ki	1.61 nM	PMID10072681	BindingDB,ChEMBL
Ki	2.7 nM	PMID10230640, PMID10230641, PMID12127521, PMID10794681, PMID15990298, PMID18180159, PMID9171885	BindingDB,ChEMBL
Ki	3.0 nM	PMID18672365, PMID21618986	BindingDB,ChEMBL
Ki	3.7 nM	PMID15990298, PMID14592493	BindingDB,ChEMBL
Ki	56.0 nM	PMID9873487	BindingDB,ChEMBL

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