Compound Detail

CHEMBL281202

CARVACROL

🧪 Phase II

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🧪 Phase II

Cc1ccc(C(C)C)cc1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL281202
Name	CARVACROL
Phase	Phase II
Structure Type	MOL
InChI Key	RECUKUPTGUEGMW-UHFFFAOYSA-N

Known Names

2-hydroxy-p-cymene 2-p-cymenol Antioxine Carvacrol Dentol FEMA NO. 2245 Isopropyl-o-cresol Isothymol NSC-6188

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

150.2

MW (Da)

2.82

ALogP

HBA

HBD

20.2

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

Extended Properties

Molecular Formula	C10H14O
MW	150.22
Aromatic Rings	1
Heavy Atoms	11
NP-Likeness	0.27

Activity Summary

IC50 10 meas. best 5.97

EC50 3 meas. best 5.16

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	5.97	5.97	1060.0	1
Prostaglandin G/H synthase 1 CHEMBL221	IC50	5.4	5.4	4000.0	1
Transient receptor potential cation channel subfamily A member 1 CHEMBL6007	EC50	5.16	4.9033	7000.0	3
Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL1940	IC50	4.01	4.01	98000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	1060.0	nM	5.97	Inhibition of Mycobacterium tuberculosis chorismate mutase assessed as reduction...	28202315
Prostaglandin G/H synthase 1	IC50	=	4000.0	nM	5.4	Inhibition of COX1	16038536
Transient receptor potential cation channel subfamily A member 1	EC50	=	7000.0	nM	5.16	Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as in...	20356305
Transient receptor potential cation channel subfamily A member 1	EC50	=	16595.87	nM	4.78	Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase i...	30878828
Transient receptor potential cation channel subfamily A member 1	EC50	=	17000.0	nM	4.77	Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase i...	30878828
Voltage-dependent L-type calcium channel subunit alpha-1C	IC50	=	98000.0	nM	4.01	Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in do...	-

Literature References

PubMed	DOI	Target Context	# Activities
22967040	10.1021/np300050g	Unchecked	45
25454269	10.1016/j.bmcl.2014.10.028	Mus musculus	23
21291237	10.1021/jf103937p	Tribolium castaneum	10
23273412	10.1016/j.bmcl.2012.12.001	Radical scavenging activity	6
22967040	10.1021/np300050g	Sciatic nerve	6
30878828	10.1016/j.ejmech.2019.02.074	Transient receptor potential cation channel subfamily A member 1	5
22850211	10.1016/j.bmcl.2012.07.017	Cryptococcus neoformans	4
36731248	10.1016/j.bmc.2023.117187	Quinolone resistance protein NorA	4
31207463	10.1016/j.ejmech.2019.05.093	Streptococcus pyogenes	3
22850211	10.1016/j.bmcl.2012.07.017	Candida albicans	3
31207463	10.1016/j.ejmech.2019.05.093	Streptococcus pneumoniae	3
31207463	10.1016/j.ejmech.2019.05.093	Staphylococcus epidermidis	3
31207463	10.1016/j.ejmech.2019.05.093	Pseudomonas aeruginosa	3
31207463	10.1016/j.ejmech.2019.05.093	Klebsiella pneumoniae	3
20527965	10.1021/jf100797m	Meloidogyne incognita	3
31207463	10.1016/j.ejmech.2019.05.093	Escherichia coli	3
31207463	10.1016/j.ejmech.2019.05.093	Acinetobacter baumannii	3
31207463	10.1016/j.ejmech.2019.05.093	Enterococcus faecalis	3
31207463	10.1016/j.ejmech.2019.05.093	Staphylococcus aureus	3
31207463	10.1016/j.ejmech.2019.05.093	Streptococcus agalactiae	3

Data from ChEMBL 36 via Core Engine