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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-376395
Molecular formula	C21H30N2O
IUPAC name	3,6-dimethyl-N-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine
Molecular weight	326.484
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	6.4
Synonyms	3,6-dimethyl-N-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine GD-0065 VIZBSVDBNLAVAW-UHFFFAOYSA-N 175140-00-8 4k5y KB-76174 API0007847 D06FIF SCHEMBL123421 CHEMBL270948 GTPL3496 ZINC14975027 1Q5 5113G7FP34 CP376395 KS-00002WT7 3,6-Dimethyl-N-(Pentan-3-Yl)-2-(2,4,6-Trimethylphenoxy)pyridin-4-Amine BDBM20966 DTXSID0047298 UNII-5113G7FP34 4-Pyridinamine, N-(1-ethylpropyl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)- CP 376395 HY-14130 [3,6-Dimethyl-2-(2,4,6-trimethyl-phenoxy)-pyridin-4-yl]-(1-ethyl-propyl)-amine 2-Aryloxy-4-alkylaminopyridine, 3a AKOS015994585 CS-7833 MolPort-009-194-134 [ Show all ]
Inchi Key	VIZBSVDBNLAVAW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H30N2O/c1-8-18(9-2)23-19-12-16(6)22-21(17(19)7)24-20-14(4)10-13(3)11-15(20)5/h10-12,18H,8-9H2,1-7H3,(H,22,23)
PubChem CID	9862166
ChEMBL	CHEMBL270948
IUPHAR	3496
BindingDB	20966
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
Ki	12.0 nM	PMID18288792	ChEMBL

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