Compound Detail

CHEMBL463843

CANNABIGEROLIC ACID

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CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL463843
Name	CANNABIGEROLIC ACID
Phase	Preclinical
Structure Type	MOL
InChI Key	SEEZIOZEUUMJME-FOWTUZBSSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

360.5

MW (Da)

5.76

ALogP

HBA

HBD

77.8

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 5 meas. best 5.88

EC50 2 meas. best 5.92

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
SARS-CoV-2 CHEMBL4303835	EC50	5.92	5.92	1210.0	1
Transient receptor potential cation channel subfamily M member 8 CHEMBL5011	IC50	5.88	5.88	1310.0	1
Transient receptor potential cation channel subfamily M member 7 CHEMBL1250412	IC50	5.57	5.57	2700.0	1
Transient receptor potential cation channel subfamily A member 1 CHEMBL5160	IC50	5.15	5.15	7140.0	1
Transient receptor potential cation channel subfamily A member 1 CHEMBL5160	EC50	5.08	5.08	8400.0	1
Unchecked CHEMBL612545	IC50	4.54	4.54	29000.0	1
Diacylglycerol lipase-alpha CHEMBL5545	IC50	4.52	4.52	30500.0	1

Parameter	Value	Units	Species
AUC	99333.33	ng.hr.mL-1	Mus musculus
AUC	94.0	ng.min/g	Mus musculus
Cmax	176149.13	nM	Mus musculus
Cmax	2.3	ng/mg	Mus musculus
T1/2	1.033	hr	Mus musculus
T1/2	0.5167	hr	Mus musculus
Tmax	0.75	hr	Mus musculus
Tmax	0.5	hr	Mus musculus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
SARS-CoV-2	EC50	=	1210.0	nM	5.92	Antiviral activity against SARS CoV-2 spike-pseudotyped lentivirus infected in h...	38864383
Transient receptor potential cation channel subfamily M member 8	IC50	=	1310.0	nM	5.88	Antagonist activity at rat TRPM8 transfected in HEK293 cells assessed as inhibit...	38408345
Transient receptor potential cation channel subfamily M member 7	IC50	=	2700.0	nM	5.57	Inhibition of human TRPM7 transfected in HEK293 cells assessed as inhibition of ...	38537009
Transient receptor potential cation channel subfamily A member 1	IC50	=	7140.0	nM	5.15	Antagonist activity at rat TRPA1 transfected in HEK293 cells assessed as desensi...	38408345
Transient receptor potential cation channel subfamily A member 1	EC50	=	8400.0	nM	5.08	Agonist activity at rat TRPA1 transfected in HEK293 cells assessed as increase i...	38408345
Unchecked	IC50	=	29000.0	nM	4.54	Inhibition of porcine heart MDH using oxaloacetic acid as substrate preincubated...	38864383
Diacylglycerol lipase-alpha	IC50	=	30500.0	nM	4.52	Inhibition of recombinant human DAGLalpha expressed in COS7 cells using [14C]-ol...	30816712

PubMed	DOI	Target Context	# Activities
31686510	10.1021/acs.jnatprod.9b00600	ADMET	11
37402317	10.1021/acs.jnatprod.3c00111	SARS-CoV-2	7
18681481	10.1021/np8002673	Staphylococcus aureus	6
38864383	10.1021/acs.jmedchem.4c00597	Unchecked	5
35007072	10.1021/acs.jnatprod.1c00946	SARS-CoV-2	5
38864383	10.1021/acs.jmedchem.4c00597	SARS-CoV-2	4
38408345	10.1021/acs.jnatprod.3c00831	Transient receptor potential cation channel subfamily A member 1	3
38864383	10.1021/acs.jmedchem.4c00597	Spike glycoprotein	3
38864383	10.1021/acs.jmedchem.4c00597	No relevant target	3
30816712	10.1021/acs.jnatprod.8b00874	Diacylglycerol lipase-alpha	2
30816712	10.1021/acs.jnatprod.8b00874	Fatty-acid amide hydrolase 1	2
30816712	10.1021/acs.jnatprod.8b00874	N-acylethanolamine-hydrolyzing acid amidase	2
30816712	10.1021/acs.jnatprod.8b00874	RBL-2H3	2
30816712	10.1021/acs.jnatprod.8b00874	Unchecked	2
31686510	10.1021/acs.jnatprod.9b00600	No relevant target	2
33887133	10.1021/acs.jnatprod.0c01281	L-lactate dehydrogenase B chain	1
35007072	10.1021/acs.jnatprod.1c00946	Vero C1008	1
35007072	10.1021/acs.jnatprod.1c00946	Caco-2	1
35007072	10.1021/acs.jnatprod.1c00946	HEK-293T	1
37402317	10.1021/acs.jnatprod.3c00111	Vero C1008	1

Data from ChEMBL 36 via Core Engine