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baicalin 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 4055 | 21967-41-9 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
has iron chelating activity; chemical component of Chinese medicinal herb Huang-chin (Scutellaria baicalensis); do not confuse with baicalein
|
Drug dosage:
None
ADMET properties:
None
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT3,ALK,AURKA,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK2,CDK4,CDK5,CDK9,CSF1R,CSNK1E,CSNK1G1,DDR1,DYRK1B,DYRK3,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K14,MAP3K2,MAP3K21,MAP3K3,MAP3K7,MAP4K1,MAP4K3,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MTOR,NTRK1,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PIM3,PRKCD,PRKDC,PTK2,SGK1,SIK2,SIK3,STK10,STK33,SYK,TEK,TGFBR1,TTK,UHMK1,ULK1,ULK2,ZAP70 | 82 | |||
| kinase-selectivity-class | ACVR2B,AXL,CDK9,ERBB2,GRK2,MAP2K6,MAP3K14,MAPK7,PRKDC,STK33,SYK,TEK,TGFBR1,ZAP70 | 14 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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 |
|---|---|---|
| CHEBI has role | CHEBI:22586 | antioxidant |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:35475 | non-steroidal anti-inflammatory drug |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:50266 | prodrug |
| CHEBI has role | CHEBI:63726 | neuroprotective agent |
| CHEBI has role | CHEBI:76779 | EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| CHEBI has role | CHEBI:76924 | plant metabolite |
| CHEBI has role | CHEBI:77307 | cardioprotective agent |
| CHEBI has role | CHEBI:145947 | antiatherosclerotic agent |
| CHEBI has role | CHEBI:149553 | anticoronaviral agent |
| CHEBI has role | CHEBI:170010 | EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor |
| CHEBI has role | CHEBI:173084 | ferroptosis inhibitor |
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D000894 | Anti-Inflammatory Agents, Non-Steroidal |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D018501 | Antirheumatic Agents |
| MeSH PA | D018689 | Sensory System Agents |
| MeSH PA | D018712 | Analgesics, Non-Narcotic |
| MeSH PA | D018927 | Anti-Asthmatic Agents |
| MeSH PA | D019141 | Respiratory 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 level | Dissociation constant | Type (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:
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | Enzyme | IC50 | 4.25 | CHEMBL | |||||
| Cyclin-dependent kinase 1 | Kinase | IC50 | 4.84 | CHEMBL | |||||
| Serine/threonine-protein kinase PLK1 | Kinase | IC50 | 5.44 | CHEMBL | |||||
| Prolyl endopeptidase | Enzyme | IC50 | 4.92 | CHEMBL | |||||
| Lysine-specific histone demethylase 1A | Enzyme | IC50 | 5.45 | CHEMBL | |||||
| Glyceraldehyde-3-phosphate dehydrogenase liver | Enzyme | IC50 | 4.39 | CHEMBL | |||||
| GABA-A receptor; anion channel | Ion channel | Ki | 4.11 | CHEMBL | |||||
| Cyclic GMP-AMP synthase | Enzyme | INHIBITOR | IC50 | 5.40 | IUPHAR | ||||
| Replicase polyprotein 1ab | Enzyme | IC50 | 5.19 | CHEMBL | |||||
| Cyclic GMP-AMP synthase | Enzyme | INHIBITOR | IC50 | 4.96 | IUPHAR |
External reference:
| ID | Source |
|---|---|
| 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 |
| 13076 | IUPHAR_LIGAND_ID |
| 347Q89U4M5 | UNII |
| 64982 | PUBCHEM_CID |
| 1440261 | RXNORM |
| 008594 | NDDF |
Pharmaceutical products:
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Anubis Barcelona | HUMAN OTC DRUG LABEL | 24 | 83021-553 | CREAM | 0.01 g | TOPICAL | OTC monograph final | 9 sections |
| Kimmkco HAIR GROWTH | HUMAN OTC DRUG LABEL | 1 | 87533-332 | LIQUID | 10 g | TOPICAL | unapproved drug other | 7 sections |