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GPCR

NameCorticotropin-releasing factor receptor 1
SpeciesHomo sapiens (Human)
GeneCRHR1
SynonymCRHR
CRH-R1
CRH-R-1
CRFR1
CRFR-1
[ Show all ]
DiseaseMajor depressive disorder; Severe mood disorder
Depression; Anxiety
Depression
Irritable bowel syndrome
Anxiety disorder; Depression
[ Show all ]
Length444
Amino acid sequenceMGGHPQLRLVKALLLLGLNPVSASLQDQHCESLSLASNISGLQCNASVDLIGTCWPRSPAGQLVVRPCPAFFYGVRYNTTNNGYRECLANGSWAARVNYSECQEILNEEKKSKVHYHVAVIINYLGHCISLVALLVAFVLFLRLRPGCTHWGDQADGALEVGAPWSGAPFQVRRSIRCLRNIIHWNLISAFILRNATWFVVQLTMSPEVHQSNVGWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTYSTDRLRKWMFICIGWGVPFPIIVAWAIGKLYYDNEKCWFGKRPGVYTDYIYQGPMILVLLINFIFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDEVSRVVFIYFNSFLESFQGFFVSVFYCFLNSEVRSAIRKRWHRWQDKHSIRARVARAMSIPTSPTRVSFHSIKQSTAV
UniProtP34998
Protein Data Bank4z9g, 4k5y
GPCR-HGmod modelP34998
3D structure modelThis structure is from PDB ID 4z9g.
BioLiPBL0350036,BL0350037,BL0350038, BL0251208
Therapeutic Target DatabaseT45262
ChEMBLCHEMBL1800
IUPHAR212
DrugBankBE0008658

Ligand

Name195055-03-9
Molecular formulaC22H32N6
IUPAC name3-[6-(dimethylamino)-4-methylpyridin-3-yl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
Molecular weight380.54
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.7
SynonymsR-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
HY-14127
[ Show all ]
Inchi KeyANNRUWYFVIGKHA-UHFFFAOYSA-N
Inchi IDInChI=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 CID9821250
ChEMBLCHEMBL309138
IUPHAR3520
BindingDB50116105
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC504.0 nMPMID22971011BindingDB,ChEMBL
IC508.5 nMPMID26901666BindingDB,ChEMBL
IC5028.18 nMPMID18989952BindingDB,ChEMBL
IC5050.0 nMPMID15341493, PMID16078829BindingDB,ChEMBL
Imax93.0 %PMID21889333ChEMBL
Kd0.303 nMPMID21889333BindingDB
Kd0.303 nMPMID21889333ChEMBL
Ki1.0 - 5.0 nMPMID10867111IUPHAR
Ki2.6 nMPMID26456805BindingDB,ChEMBL
Ki3.0 nMPMID26456805, PMID18672365, PMID21618986BindingDB,ChEMBL
Ki3.0 nMPMID26456805BindingDB
Ki3.5 nMPMID15341493BindingDB,ChEMBL
Ki3.98 nMPMID21074436BindingDB
Ki3.981 nMPMID21074436ChEMBL
Ki5.0 nMPMID12127521BindingDB,ChEMBL
Ki7.8 nMPMID15943483BindingDB,ChEMBL
Ki8.3 nMPMID22587443BindingDB,ChEMBL
Ki12.0 nMPMID21889333BindingDB,ChEMBL
T1/212.8 hrPMID21889333ChEMBL

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