baicalin Indications/Contra | FAERs | Orange Book | BioActivity |

Stem definitionDrug idCAS RN
4055 21967-41-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • tj-14
  • baicalin
has iron chelating activity; chemical component of Chinese medicinal herb Huang-chin (Scutellaria baicalensis); do not confuse with baicalein
  • Molecular weight: 446.36
  • Formula: C21H18O11
  • CLOGP: 0.77
  • LIPINSKI: 2
  • HAC: 11
  • HDO: 6
  • TPSA: 183.21
  • ALOGS: -2.41
  • ROTB: 4

Drug dosage:

None

Approvals:

None

FDA Adverse Event Reporting System

None

Pharmacologic Action:

SourceCodeDescription
MeSH PA D000700 Analgesics
MeSH PA D018712 Analgesics, Non-Narcotic
MeSH PA D018927 Anti-Asthmatic Agents
MeSH PA D000890 Anti-Infective Agents
MeSH PA D000893 Anti-Inflammatory Agents
MeSH PA D000894 Anti-Inflammatory Agents, Non-Steroidal
MeSH PA D018501 Antirheumatic Agents
MeSH PA D004791 Enzyme Inhibitors
MeSH PA D018373 Peripheral Nervous System Agents
MeSH PA D019141 Respiratory System Agents
MeSH PA D018689 Sensory System Agents
CHEBI has role CHEBI:35475 non-steroidal anti-inflammatory drug
CHEBI has role CHEBI:50266 prodrug

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 2.86 acidic
pKa2 6.55 acidic
pKa3 9.09 acidic
pKa4 11.71 acidic
pKa5 12.49 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
GABA-A receptor; anion channel Ion channel Ki 4.11 CHEMBL
Prolyl endopeptidase Enzyme IC50 4.92 CHEMBL
Cyclin-dependent kinase 1 Kinase IC50 4.84 CHEMBL

External reference:

IDSource
4028922 VUID
N0000179808 NUI
C0052929 UMLSCUI
347Q89U4M5 UNII
4028922 VANDF
1440261 RXNORM
008594 NDDF
CHEMBL485818 ChEMBL_ID
0XE PDB_CHEM_ID
CHEBI:2981 CHEBI
64982 PUBCHEM_CID
C038044 MESH_SUPPLEMENTAL_RECORD_UI

Pharmaceutical products:

None