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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Corticotropin-releasing factor receptor 1
Species	Rattus norvegicus (Rat)
Gene	Crhr1
Synonym	CRH-R1 CRH-R-1 CRFR1 CRFR-1 CRF1 receptor CRF-RA CRF-R1alpha CRF-R1 CRF-R-1 CRF-R CRF 1 receptor Corticotropin-releasing hormone receptor 1 CRHR [ Show all ]
Disease	N/A for non-human GPCRs
Length	415
Amino acid sequence	MGRRPQLRLVKALLLLGLNPVSTSLQDQRCENLSLTSNVSGLQCNASVDLIGTCWPRSPAGQLVVRPCPAFFYGVRYNTTNNGYRECLANGSWAARVNYSECQEILNEEKKSKVHYHVAVIINYLGHCISLVALLVAFVLFLRLRSIRCLRNIIHWNLISAFILRNATWFVVQLTVSPEVHQSNVAWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTYSTDRLRKWMFVCIGWGVPFPIIVAWAIGKLHYDNEKCWFGKRPGVYTDYIYQGPMILVLLINFIFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDEVSRVVFIYFNSFLESFQGFFVSVFYCFLNSEVRSAIRKRWRRWQDKHSIRARVARAMSIPTSPTRVSFHSIKQSTAV
UniProt	P35353
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4649
IUPHAR	212
DrugBank	N/A

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	KB-76171 PDSP1_001299 BDBM50058163 CP-154,526 CP154,526 N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo(2,3-d)pyrimidin-4-amine UNII-9A549FB00R 9A549FB00R Butyl-ethyl-[2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine FHQYJZCJRZHINA-UHFFFAOYSA-N N-butyl-N-ethyl-7-mesityl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine AKOS032946677 CHEMBL9946 LS-139512 PDSP2_001283 BDBM50369802 CP154526 N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine ZINC1539133 AB07693 CHEMBL475903 GTPL3495 NCGC00378725-02 157286-86-7 BCP26372 CP 154,526 N-BUTYL-N-ETHYL-2,5-DIMETHYL-7-(2,4,6-TRIMETHYLPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE SCHEMBL5707848 butyl-(2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)ethylamine CP-154526-1 D02IOC N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[3,2-e]pyrimidin-4-amine AC1NSJWW [ 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	0.039 - 0.51 nM	PMID8874139	IUPHAR
IC50	5.5 nM	PMID9171885	BindingDB,ChEMBL
Ki	1.8 nM	PMID10215672	BindingDB

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