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

Stem definitionDrug idCAS RN
1766 99-76-3

Description:

MoleculeDescription

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: 1.98
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 1
  • TPSA: 46.53
  • ALOGS: -1.62
  • ROTB: 2

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
CHEBI has role CHEBI:65256 antimicrobial food preservative
CHEBI has role CHEBI:63726 neuroprotective agent
MeSH PA D010592 Pharmaceutic Aids
MeSH PA D011310 Preservatives, Pharmaceutical
FDA EPC N0000185508 Standardized Chemical Allergen
FDA PE N0000175629 Increased Histamine Release
FDA PE N0000184306 Cell-mediated Immunity
FDA CS M0000728 Allergens

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 8.41 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Carbonic anhydrase 1 Enzyme Ki 5.59 CHEMBL
Carbonic anhydrase 2 Enzyme Ki 5.47 CHEMBL
Carbonic anhydrase 14 Enzyme Ki 5.39 CHEMBL
Carbonic anhydrase 7 Enzyme Ki 6.11 CHEMBL
Carbonic anhydrase 9 Enzyme Ki 5.26 CHEMBL
Carbonic anhydrase 12 Enzyme Ki 6.09 CHEMBL

External reference:

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

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
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