baicalin 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | 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: 0.28
  • LIPINSKI: 2
  • HAC: 11
  • HDO: 6
  • TPSA: 183.21
  • ALOGS: -2.41
  • ROTB: 4

Drug dosage:

None

ADMET properties:

None

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:

SourceCodeDescription
CHEBI has role CHEBI:22586 antioxidants
CHEBI has role CHEBI:33282 bactericides
CHEBI has role CHEBI:35475 non-steroidal anti-inflammatory agent
CHEBI has role CHEBI:35610 antineoplastic agents
CHEBI has role CHEBI:50266 Prodrugs
CHEBI has role CHEBI:63726 neuroprotective agents
CHEBI has role CHEBI:76779 post-proline endopeptidase inhibitors
CHEBI has role CHEBI:76924 plant metabolites
CHEBI has role CHEBI:77307 cardioprotective agents
CHEBI has role CHEBI:145947 antiatherosclerotic agents
CHEBI has role CHEBI:149553 anticoronaviral drug
CHEBI has role CHEBI:170010 EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitors
CHEBI has role CHEBI:173084 ferroptosis inhibitors
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

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 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
Cyclin-dependent kinase 1 Kinase IC50 4.84 CHEMBL
Prolyl endopeptidase Enzyme IC50 4.92 CHEMBL
Lysine-specific histone demethylase 1A Enzyme IC50 5.45 CHEMBL
GABA-A receptor; anion channel Ion channel Ki 4.11 CHEMBL

External reference:

IDSource
4028922 VUID
N0000179808 NUI
4028922 VANDF
C0052929 UMLSCUI
CHEBI:2981 CHEBI
0XE PDB_CHEM_ID
CHEMBL485818 ChEMBL_ID
C038044 MESH_SUPPLEMENTAL_RECORD_UI
C088236 MESH_SUPPLEMENTAL_RECORD_UI
347Q89U4M5 UNII
64982 PUBCHEM_CID
1440261 RXNORM
008594 NDDF

Pharmaceutical products:

None