Compound Detail

CHEMBL497318

CANNABIGEROL

🧪 Phase II

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🧪 Phase II

CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL497318
Name	CANNABIGEROL
Phase	Phase II
Structure Type	MOL
InChI Key	QXACEHWTBCFNSA-SFQUDFHCSA-N

Known Names

Cannabigerol

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

316.5

MW (Da)

6.07

ALogP

HBA

HBD

40.5

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

USAN Stem

-nab-

Extended Properties

Molecular Formula	C21H32O2
MW	316.49
Aromatic Rings	1
Heavy Atoms	23
NP-Likeness	1.88

Indications

Attention Deficit Disorder with Hyperactivity Anxiety

Activity Summary

IC50 19 meas. best 6.8

EC50 11 meas. best 6.16

Ki 10 meas. best 6.82

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cannabinoid receptor 2 CHEMBL253	Ki	6.82	6.09	153.0	4
Transient receptor potential cation channel subfamily M member 8 CHEMBL1075319	IC50	6.8	6.8	160.0	2
Transient receptor potential cation channel subfamily M member 8 CHEMBL5011	IC50	6.8	6.8	160.0	2
Cannabinoid receptor 1 CHEMBL3571	Ki	6.36	6.36	440.0	1
Transient receptor potential cation channel subfamily A member 1 CHEMBL5160	EC50	6.16	5.93	700.0	3
Transient receptor potential cation channel subfamily A member 1 CHEMBL6007	EC50	6.16	6.16	700.0	1
Cannabinoid receptor 1 CHEMBL218	Ki	6.12	5.9167	760.0	3
Transient receptor potential cation channel subfamily V member 3 CHEMBL5522	EC50	6.0	6.0	1000.0	1
Unchecked CHEMBL612545	Ki	5.96	5.96	1100.0	1
Transient receptor potential cation channel subfamily V member 4 CHEMBL3119	IC50	5.89	5.89	1300.0	1
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	EC50	5.89	5.89	1300.0	2
Transient receptor potential cation channel subfamily V member 2 CHEMBL2863	IC50	5.82	5.82	1500.0	1
Transient receptor potential cation channel subfamily V member 2 CHEMBL5051	IC50	5.82	5.82	1500.0	1
Transient receptor potential cation channel subfamily V member 2 CHEMBL2863	EC50	5.77	5.77	1700.0	1
Transient receptor potential cation channel subfamily V member 2 CHEMBL5051	EC50	5.77	5.77	1700.0	1
Unchecked CHEMBL612545	IC50	5.6	4.81	2510.0	2
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	IC50	5.58	5.58	2600.0	2
Cannabinoid receptor 1 CHEMBL218	IC50	5.48	5.48	3310.0	1
Cannabinoid receptor 2 CHEMBL253	IC50	5.46	5.46	3460.0	1
Transient receptor potential cation channel subfamily V member 4 CHEMBL3119	EC50	5.29	5.29	5100.0	1
Inhibin alpha chain CHEMBL5169109	IC50	5.28	5.28	5200.0	1
RBL-2H3 CHEMBL614632	IC50	4.95	4.95	11300.0	1
Transient receptor potential cation channel subfamily A member 1 CHEMBL5160	IC50	4.89	4.89	13000.0	2
Transient receptor potential cation channel subfamily A member 1 CHEMBL6007	IC50	4.89	4.89	13000.0	1
Peroxisome proliferator-activated receptor gamma CHEMBL235	EC50	4.8	4.8	15700.0	1
Transient receptor potential cation channel subfamily V member 3 CHEMBL5522	IC50	4.18	4.18	66000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cannabinoid receptor 2	Ki	=	153.0	nM	6.82	Displacement of [3H]-CP55940 from recombinant human CB2 receptor expressed in Sf...	30816712
Transient receptor potential cation channel subfamily M member 8	IC50	=	160.0	nM	6.8	Antagonist activity at TRPM8 (unknown origin) ion channel	33356248
Transient receptor potential cation channel subfamily M member 8	IC50	=	160.0	nM	6.8	Antagonist activity at rat TRPM8 transfected in HEK293 cells assessed as inhibit...	38408345
Transient receptor potential cation channel subfamily M member 8	IC50	=	160.0	nM	6.8	Antagonist activity at TRPM8 (unknown origin)	27437828
Transient receptor potential cation channel subfamily M member 8	IC50	=	160.0	nM	6.8	Antagonist activity at rat recombinant TRPM8 receptor expressed in HEK293 cells ...	21902175
Cannabinoid receptor 1	Ki	=	440.0	nM	6.36	Displacement of [35S]GTPgammaS from CB1 receptor in rat brain	33356248
Transient receptor potential cation channel subfamily A member 1	EC50	=	700.0	nM	6.16	Agonist activity at TRPA1 (unknown origin) activation	33356248
Transient receptor potential cation channel subfamily A member 1	EC50	=	700.0	nM	6.16	Agonist activity at rat TRPA1 transfected in HEK293 cells assessed as increase i...	38408345
Transient receptor potential cation channel subfamily A member 1	EC50	=	700.0	nM	6.16	Agonist activity at rat recombinant TRPA1 receptor expressed in HEK293 cells ass...	21902175
Cannabinoid receptor 1	Ki	=	760.0	nM	6.12	Displacement of [3H]-CP-55,940 from human recombinant CB1 receptor expressed in ...	21902175
Cannabinoid receptor 2	Ki	=	880.0	nM	6.06	Displacement of [3H]-CP-55,940 from human recombinant CB2 receptor expressed in ...	21902175
Cannabinoid receptor 1	Ki	=	897.0	nM	6.05	Displacement of [3H]-CP55940 from recombinant human CB1 receptor expressed in Sf...	30816712
Transient receptor potential cation channel subfamily V member 3	EC50	=	1000.0	nM	6.0	Agonist activity at ionomycin-stimulated TRPV3 (unknown origin) activation	33356248
Unchecked	Ki	=	1100.0	nM	5.96	Agonist activity at CB2 receptor in albino MF1 mouse vas deferens assessed as in...	33356248
Cannabinoid receptor 2	Ki	=	1220.0	nM	5.91	Displacement of [3H]-WIN55212-2 from human CB2 receptor transfected in CHO cell ...	33356248
Transient receptor potential cation channel subfamily V member 4	IC50	=	1300.0	nM	5.89	Agonist activity at ionomycin-stimulated TRPV4 (unknown origin) channel desensit...	33356248
Transient receptor potential cation channel subfamily V member 1	EC50	=	1300.0	nM	5.89	Agonist activity at ionomycin-stimulated TRPV1 (unknown origin) activation	33356248
Transient receptor potential cation channel subfamily V member 1	EC50	=	1300.0	nM	5.89	Agonist activity at human TRPv1 receptor expressed in HEK293 cells assessed as s...	21902175
Transient receptor potential cation channel subfamily V member 2	IC50	=	1500.0	nM	5.82	Antagonist activity at rat recombinant TRPV2 receptor expressed in HEK293 cells ...	21902175
Transient receptor potential cation channel subfamily V member 2	IC50	=	1500.0	nM	5.82	Agonist activity at ionomycin-stimulated TRPV2 (unknown origin) channel desensit...	33356248

Literature References

PubMed	DOI	Target Context	# Activities
37402317	10.1021/acs.jnatprod.3c00111	SARS-CoV-2	7
18681481	10.1021/np8002673	Staphylococcus aureus	6
33356248	10.1021/acs.jnatprod.0c00965	Cannabinoid receptor 1	4
33356248	10.1021/acs.jnatprod.0c00965	Staphylococcus aureus	4
38408345	10.1021/acs.jnatprod.3c00831	Transient receptor potential cation channel subfamily A member 1	3
33356248	10.1021/acs.jnatprod.0c00965	Transient receptor potential cation channel subfamily V member 1	3
33356248	10.1021/acs.jnatprod.0c00965	Transient receptor potential cation channel subfamily V member 2	3
33356248	10.1021/acs.jnatprod.0c00965	Transient receptor potential cation channel subfamily V member 3	3
33356248	10.1021/acs.jnatprod.0c00965	Transient receptor potential cation channel subfamily A member 1	3
21902175	10.1021/np200500p	Transient receptor potential cation channel subfamily A member 1	3
21902175	10.1021/np200500p	Transient receptor potential cation channel subfamily V member 2	3
21902175	10.1021/np200500p	Transient receptor potential cation channel subfamily V member 1	3
33356248	10.1021/acs.jnatprod.0c00965	Transient receptor potential cation channel subfamily V member 4	3
30816712	10.1021/acs.jnatprod.8b00874	Fatty-acid amide hydrolase 1	2
30816712	10.1021/acs.jnatprod.8b00874	Unchecked	2
30816712	10.1021/acs.jnatprod.8b00874	Diacylglycerol lipase-alpha	2
33356248	10.1021/acs.jnatprod.0c00965	Cannabinoid receptor 2	2
38917622	10.1016/j.bmc.2024.117793	Unchecked	2
30816712	10.1021/acs.jnatprod.8b00874	RBL-2H3	2
21902175	10.1021/np200500p	Cannabinoid receptor 2	2

Data from ChEMBL 36 via Core Engine