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coumarin 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 738 | 91-64-5 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
effective in reducing edema following crush & thermal injury; structure in Merck Index, 9th ed, #2547; Coumarin itself occurs in the Tonka bean
|
Drug dosage:
None
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 3 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 1.10 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 23.60 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.17 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 0.80 hours | Lombardo F, Berellini G, Obach RS |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.587 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.991 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 82.414 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 30.479 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 43.140 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 49.250 | % | High | 1 |
| herg | hERG pIC50 | 4.068 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 9.268 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 61.944 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 36.900 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,ITK,JAK1,JAK2,MAP3K1,MAP3K21,MAP3K7,MAPK12,MAPK7,MAPK9,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 | 53 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AXL,BRAF,CDK9,DDR1,DYRK1B,GRK2,MAPK12,MAPK7,MAPK8,STK33,SYK,TEK,TTK | 15 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.337 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 145.881 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 57.770 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.079 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 42.740 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 6.934 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 94.800 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 48.790 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 48.978 | uM | High | 1 |
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:51121 | fluorescent dye |
| CHEBI has role | CHEBI:76924 | plant metabolite |
| CHEBI has role | CHEBI:77746 | human metabolite |
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
None
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 |
|---|---|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Enzyme | Ki | 5.04 | CHEMBL | |||||
| Carbonic anhydrase 1 | Enzyme | Ki | 5.51 | CHEMBL | |||||
| Carbonic anhydrase 4 | Enzyme | Ki | 5.17 | CHEMBL | |||||
| Carbonic anhydrase 9 | Enzyme | Ki | 5.04 | CHEMBL | |||||
| Carbonic anhydrase 12 | Enzyme | Ki | 5.05 | CHEMBL | |||||
| Carbonic anhydrase 5A, mitochondrial | Enzyme | Ki | 5.03 | CHEMBL | |||||
| Carbonic anhydrase 5B, mitochondrial | Enzyme | Ki | 5.28 | CHEMBL | |||||
| Carbonic anhydrase 7 | Enzyme | Ki | 5.48 | CHEMBL | |||||
| Carbonic anhydrase 3 | Enzyme | Ki | 5.25 | CHEMBL | |||||
| Carbonic anhydrase 6 | Enzyme | Ki | 5.70 | CHEMBL | |||||
| Carbonic anhydrase 14 | Enzyme | Ki | 7.32 | CHEMBL | |||||
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Cytosolic other | Ki | 5.39 | CHEMBL | |||||
| Sclerostin | Glycoprotein | Kd | 6.64 | CHEMBL | |||||
| Carbonic anhydrase 13 | Enzyme | Ki | 5.04 | CHEMBL | |||||
| Amine oxidase [flavin-containing] B | Enzyme | IC50 | 4.92 | CHEMBL | |||||
| Amine oxidase [flavin-containing] A | Enzyme | IC50 | 4.39 | CHEMBL | |||||
| Carbonic anhydrase 15 | Enzyme | Ki | 4.40 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| D07751 | KEGG_DRUG |
| 2898 | RXNORM |
| C0010206 | UMLSCUI |
| COU | PDB_CHEM_ID |
| CHEMBL6466 | ChEMBL_ID |
| DB04665 | DRUGBANK_ID |
| 323 | PUBCHEM_CID |
| C030123 | MESH_SUPPLEMENTAL_RECORD_UI |
| A4VZ22K1WT | UNII |
| 005531 | NDDF |
| 373307003 | SNOMEDCT_US |
| 766936008 | SNOMEDCT_US |
| 768600002 | SNOMEDCT_US |
| 90944001 | SNOMEDCT_US |
| CHEBI:28794 | CHEBI |
| A4VZ22K1WT | INXIGHT DRUGS |
Pharmaceutical products:
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Anubis Barcelona Regul Oil | HUMAN OTC DRUG LABEL | 38 | 83021-742 | CREAM | 0.00 g | TOPICAL | OTC monograph final | 9 sections |