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GPCR

Name	Cannabinoid receptor 1
Species	Homo sapiens (Human)
Gene	CNR1
Synonym	CB1 Central cannabinoid receptor SKR6R THC receptor CB1R CANN6 CB1 receptor Neuronal cannabinoid receptor Cann7 CB-R [ Show all ]
Disease	Obesity; Diabetes Chemotherapy-induced nausea Diabetes; Obesity Drug abuse Hypertension; Diabetes; Obesity Insomnia Ischemia Lipid metabolism disorder Metabolic disorders Obesity Type 2 diabetes Schizophrenia Psychotic disorders Postherpetic neuralgia Ovarian cancer Obesity; Metabolic disorders Nicotine dependence; Obesity Neuropathic pain Cerebrovascular ischaemia Central nervous system disease Pain Anorexia Endocrine disease [ Show all ]
Length	472
Amino acid sequence	MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
UniProt	P21554
Protein Data Bank	5tjv, 5u09, 5xr8, 5xra, 6n4b, 5tgz
GPCR-HGmod model	P21554
3D structure model	This structure is from PDB ID 5tjv.
BioLiP	BL0384680, BL0364157, BL0384679, BL0384681, BL0384682, BL0384683, BL0384684, BL0440253, BL0440254,BL0440255, BL0363267, BL0361447, BL0361446
Therapeutic Target Database	T76685
ChEMBL	CHEMBL218
IUPHAR	56
DrugBank	BE0000061

Ligand

Name	AM 281
Molecular formula	C21H19Cl2IN4O2
IUPAC name	1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
Molecular weight	557.213
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.3
Synonyms	BN0064 FT-0752198 NCGC00025009-01 TRA0027415 1H-Pyrazole-3-carboxamide,1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-4-morpholinyl- AM281, >=98% (HPLC) J-013143 SBP4A4DYH2 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(morpholin-4-yl)-1H-pyrazole-3-carboxamide AJFFBPZYXRNAIC-UHFFFAOYSA-N BCP07951 D0UD9H MFCD01861180 SR-01000597389-1 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-morpholino-1H-pyrazole-3-carboxamide AM-281 BRD-K59419204-001-01-9 GTPL741 NCGC00025009-02 UNII-SBP4A4DYH2 202463-68-1 B6603 CHEMBL476833 KB-309876 SCHEMBL1517458 1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-4-morpholinyl-1H-pyrazole-3-carboxamide AC1N7ICF AKOS024456391 BDBM50267372 EX-A1546 MolPort-003-940-033 Tocris-1115 1H-Pyrazole-3-carboxamide, 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-4-morpholinyl- AM281 CHEBI:93039 HMS3267K18 RT-011256 ZINC2575699 1-(2,4-DICHLORO-PHENYL)-5-(4-IODO-PHENYL)-4-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID MORPHOLIN-4-YL AMIDE BC600570 CTK8E9266 L023967 SR-01000597389 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide ACM202463681 [ Show all ]
Inchi Key	AJFFBPZYXRNAIC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H19Cl2IN4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-4-15(22)12-17(18)23)20(13)14-2-5-16(24)6-3-14/h2-7,12H,8-11H2,1H3,(H,26,29)
PubChem CID	4302962
ChEMBL	CHEMBL476833
IUPHAR	741
BindingDB	50267372
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Activity	73.0 %	PMID19278853	ChEMBL
Intrinsic activity	-80.0 %	MedChemComm, (2014) 5:5:632	ChEMBL
Ki	13.2 nM	Med Chem Res, (2013) 22:9:4133	ChEMBL
Ki	13.24 nM	Med Chem Res, (2013) 22:9:4133	ChEMBL
Ki	422.0 nM	PMID18511157	PDSP,BindingDB,ChEMBL

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