methylparaben 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definition	Drug id	CAS RN
	1766	99-76-3

Description:

Molecule

Description

Molfile Inchi Smiles

Synonyms:

methyl parahydroxybenzoate
methylparaben
maseptol
p-carbomethoxyphenol
p-hydroxybenzoic acid methyl ester
p-methoxycarbonylphenol

used as a preservative in cosmetics but potentiates UV-induced damage of skin; RN given refers to parent cpd

Molecular weight: 152.15
Formula: C8H8O3
CLOGP: 1.99
LIPINSKI: 0
HAC: 3
HDO: 1
TPSA: 46.53
ALOGS: -1.62
ROTB: 2

Drug dosage:

None

ADMET properties:

Property	Value	Reference
S (Water solubility)	2 mg/mL	Bocci G, Oprea TI, Benet LZ
BDDCS (Biopharmaceutical Drug Disposition Classification System)	1	Bocci G, Oprea TI, Benet LZ

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
FDA CS	M0000728	Allergens
MeSH PA	D010592	Pharmaceutic Aids
MeSH PA	D011310	Preservatives, Pharmaceutical
FDA PE	N0000175629	Increased Histamine Release
FDA PE	N0000184306	Cell-mediated Immunity
FDA EPC	N0000185508	Standardized Chemical Allergen
CHEBI has role	CHEBI:35718	antifungal agents
CHEBI has role	CHEBI:63726	neuroprotective agents
CHEBI has role	CHEBI:65256	antimicrobial food preservatives
CHEBI has role	CHEBI:76924	plant metabolites

Drug Use | Suggest Off label Use Form| |View source of the data|

None

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	8.41	acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Mechanism action	Bioact source	MoA source
Carbonic anhydrase 2	Enzyme	P00918	CAH2_HUMAN		Ki	5.47		CHEMBL
Carbonic anhydrase 1	Enzyme	P00915	CAH1_HUMAN		Ki	5.59		CHEMBL
Carbonic anhydrase 9	Enzyme	Q16790	CAH9_HUMAN		Ki	5.26		CHEMBL
Carbonic anhydrase 12	Enzyme	O43570	CAH12_HUMAN		Ki	6.09		CHEMBL
Carbonic anhydrase 7	Enzyme	P43166	CAH7_HUMAN		Ki	6.11		CHEMBL
Carbonic anhydrase 14	Enzyme	Q9ULX7	CAH14_HUMAN		Ki	5.39		CHEMBL

External reference:

ID	Source
4017838	VUID
N0000179191	NUI
D01400	KEGG_DRUG
4017413	VANDF
4017838	VANDF
C0066415	UMLSCUI
CHEBI:31835	CHEBI
MPB	PDB_CHEM_ID
CHEMBL325372	ChEMBL_ID
DB14212	DRUGBANK_ID
7456	PUBCHEM_CID
C015358	MESH_SUPPLEMENTAL_RECORD_UI
A2I8C7HI9T	UNII
29903	RXNORM
NOCODE	MMSL
003195	NDDF
255868004	SNOMEDCT_US
411204003	SNOMEDCT_US

Pharmaceutical products:

Product	Category	Ingredients	NDC	Form	Quantity	Route	Marketing	Label
isLeaf Long Lasting Waterproof Eyeliner Black	HUMAN OTC DRUG LABEL	1	70818-003	LIQUID	0.30 g	TOPICAL	unapproved drug other	7 sections
isLeaf Tattoo Eyebrow Brown	HUMAN OTC DRUG LABEL	1	70818-007	GEL	0.30 g	TOPICAL	unapproved drug other	7 sections
isLeaf Long Lasting Waterproof Eyeliner Brown	HUMAN OTC DRUG LABEL	1	70818-008	GEL	0.30 g	TOPICAL	unapproved drug other	7 sections
Anubis Barcelona Regul Oil	HUMAN OTC DRUG LABEL	31	83021-300	CREAM	0.48 g	TOPICAL	OTC monograph final	9 sections
Anubis Barcelona Regul Oil	HUMAN OTC DRUG LABEL	31	83021-300	CREAM	0.48 g	TOPICAL	OTC monograph final	9 sections
Anubis Barcelona	HUMAN OTC DRUG LABEL	27	83021-617	CONCENTRATE	0.01 g	TOPICAL	OTC monograph final	9 sections
Anubis Barcelona	HUMAN OTC DRUG LABEL	27	83021-617	CONCENTRATE	0.01 g	TOPICAL	OTC monograph final	9 sections
Anubis Barcelona Regul OIl	HUMAN OTC DRUG LABEL	27	83021-624	CONCENTRATE	0.01 g	TOPICAL	OTC monograph final	9 sections
Anubis Barcelona Regul OIl	HUMAN OTC DRUG LABEL	27	83021-624	CONCENTRATE	0.01 g	TOPICAL	OTC monograph final	9 sections
Anubis Barcelona Regul Oil	HUMAN OTC DRUG LABEL	17	83021-740	LOTION	0.50 g	TOPICAL	OTC monograph final	9 sections
Anubis Barcelona Regul Oil	HUMAN OTC DRUG LABEL	17	83021-740	LOTION	0.50 g	TOPICAL	OTC monograph final	9 sections
Anubis Barcelona Regul Oil	HUMAN OTC DRUG LABEL	38	83021-742	CREAM	0.60 g	TOPICAL	OTC monograph final	9 sections
Anubis Barcelona Regul Oil	HUMAN OTC DRUG LABEL	38	83021-742	CREAM	0.60 g	TOPICAL	OTC monograph final	9 sections