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

Stem definitionDrug idCAS RN
3021 484-20-8

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • bergapten
  • 5-Methoxy-6,7-furanocoumarin
  • 5-Methoxypsoralen
  • bergaptan
  • bergaptene
  • heraclin
A linear furanocoumarin that has phototoxic and anti-inflammatory properties, with effects similar to METHOXSALEN. It is used in PUVA THERAPY for the treatment of PSORIASIS.
  • Molecular weight: 216.19
  • Formula: C12H8O4
  • CLOGP: 2.31
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 0
  • TPSA: 48.67
  • ALOGS: -3.16
  • ROTB: 1

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
ATC D05BA03 DERMATOLOGICALS
ANTIPSORIATICS
ANTIPSORIATICS FOR SYSTEMIC USE
Psoralens for systemic use
MeSH PA D000893 Anti-Inflammatory Agents
MeSH PA D003879 Dermatologic Agents
MeSH PA D017319 Photosensitizing Agents
MeSH PA D011838 Radiation-Sensitizing Agents
CHEBI has role CHEBI:62868 antihepatotoxic agent
CHEBI has role CHEBI:76924 plant metabolites

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

None

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
Amine oxidase [flavin-containing] A Enzyme IC50 4.86 CHEMBL
Cytochrome P450 1A1 Enzyme Ki 7.22 CHEMBL
Dual specificity tyrosine-phosphorylation-regulated kinase 1A Kinase AC50 5.83 CHEMBL

External reference:

IDSource
D07521 KEGG_DRUG
C0049289 UMLSCUI
CHEBI:18293 CHEBI
CHEMBL24171 ChEMBL_ID
DB12216 DRUGBANK_ID
2355 PUBCHEM_CID
4FVK84C92X UNII
15842 RXNORM
005216 NDDF
429146002 SNOMEDCT_US
441498004 SNOMEDCT_US
D000078223 MESH_DESCRIPTOR_UI

Pharmaceutical products:

None