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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	195055-03-9
Molecular formula	C22H32N6
IUPAC name	3-[6-(dimethylamino)-4-methylpyridin-3-yl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
Molecular weight	380.54
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.7
Synonyms	CS-6231 KS-000006AG R121919 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N,N-dipropylpyrazolo[2,3-a]-pyrimidin-7-amine ANW-59414 BCP23964 FT-0767007 NBI-30775 UNII-G82N555U1N 292073-75-7 HY-14127 R-121,919 [3-(6-Dimethylamino-4-methyl-pyridin-3-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-dipropyl-amine 3-(6-dimethylamino-4-methylpyridin-3-yl)-2,5-dimethyl-N,N-dipropylpyrazolo[5,1-b]pyrimidin-7-amine AKOS016002213 CTK8B8151 MolPort-009-200-030 SCHEMBL5600844 0092AB 3-[6-(dimethylamino)-4-methyl-pyrid-3-yl]-2,5-dimethyl-n,n-dipropyl-pyrazolo[2,3-a]pyrimidin-7-amine API0009338 BDBM50116105 G82N555U1N Pyrazolo(1,5-a)pyrimidin-7-amine, 3-(6-(dimethylamino)-4-methyl-3-pyridinyl)-2,5-dimethyl-n,N-dipropyl- ZINC602283 3-(6-(Dimethylamino)-4-methylpyridin-3-yl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine CHEMBL309138 KB-79289 R-121919 3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-n,n-dipropyl-pyrazolo[2,3-a]pyrimidine-7-amine ANNRUWYFVIGKHA-UHFFFAOYSA-N AX8150177 DTXSID00173162 NBI 30775 TC-148159 3-[6-(dimethylamino)-4-methylpyridin-3-yl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine CD-1823 GTPL3520 R 121919 [3-(6-Dimethylamino-4-methyl-pyridin-3-yl)-2,5-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]-dipropyl-amine 3-(6-(Dimethylamino);-4-methylpyridin-3-yl);-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine AB21702 [ Show all ]
Inchi Key	ANNRUWYFVIGKHA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3
PubChem CID	9821250
ChEMBL	CHEMBL309138
IUPHAR	3520
BindingDB	50116105
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	4.0 nM	PMID22971011	BindingDB,ChEMBL
IC50	8.5 nM	PMID26901666	BindingDB,ChEMBL
IC50	28.18 nM	PMID18989952	BindingDB,ChEMBL
IC50	50.0 nM	PMID15341493, PMID16078829	BindingDB,ChEMBL
Imax	93.0 %	PMID21889333	ChEMBL
Kd	0.303 nM	PMID21889333	BindingDB
Kd	0.303 nM	PMID21889333	ChEMBL
Ki	1.0 - 5.0 nM	PMID10867111	IUPHAR
Ki	2.6 nM	PMID26456805	BindingDB,ChEMBL
Ki	3.0 nM	PMID26456805, PMID18672365, PMID21618986	BindingDB,ChEMBL
Ki	3.0 nM	PMID26456805	BindingDB
Ki	3.5 nM	PMID15341493	BindingDB,ChEMBL
Ki	3.98 nM	PMID21074436	BindingDB
Ki	3.981 nM	PMID21074436	ChEMBL
Ki	5.0 nM	PMID12127521	BindingDB,ChEMBL
Ki	7.8 nM	PMID15943483	BindingDB,ChEMBL
Ki	8.3 nM	PMID22587443	BindingDB,ChEMBL
Ki	12.0 nM	PMID21889333	BindingDB,ChEMBL
T1/2	12.8 hr	PMID21889333	ChEMBL

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