coumarin 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definition	Drug id	CAS RN
	738	91-64-5

Description:

Molecule

Description

Molfile Inchi Smiles

Synonyms:

coumarin
1,2-Benzopyrone
2-Chromenone

effective in reducing edema following crush & thermal injury; structure in Merck Index, 9th ed, #2547; Coumarin itself occurs in the Tonka bean

Molecular weight: 146.15
Formula: C9H6O2
CLOGP: 1.41
LIPINSKI: 0
HAC: 2
HDO: 0
TPSA: 26.30
ALOGS: -2.16
ROTB: 0

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

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 dyes
CHEBI has role	CHEBI:76924	plant metabolites
CHEBI has role	CHEBI:77746	Homo sapiens 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	P00918	CAH2_HUMAN		Ki	5.04		CHEMBL
Carbonic anhydrase 1	Enzyme	P00915	CAH1_HUMAN		Ki	5.51		CHEMBL
Carbonic anhydrase 4	Enzyme	P22748	CAH4_HUMAN		Ki	5.17		CHEMBL
Carbonic anhydrase 9	Enzyme	Q16790	CAH9_HUMAN		Ki	5.04		CHEMBL
Carbonic anhydrase 12	Enzyme	O43570	CAH12_HUMAN		Ki	5.05		CHEMBL
Carbonic anhydrase 5A, mitochondrial	Enzyme	P35218	CAH5A_HUMAN		Ki	5.03		CHEMBL
Carbonic anhydrase 5B, mitochondrial	Enzyme	Q9Y2D0	CAH5B_HUMAN		Ki	5.28		CHEMBL
Carbonic anhydrase 7	Enzyme	P43166	CAH7_HUMAN		Ki	5.48		CHEMBL
Carbonic anhydrase 3	Enzyme	P07451	CAH3_HUMAN		Ki	5.25		CHEMBL
Carbonic anhydrase 6	Enzyme	P23280	CAH6_HUMAN		Ki	5.70		CHEMBL
Carbonic anhydrase 14	Enzyme	Q9ULX7	CAH14_HUMAN		Ki	7.32		CHEMBL
Induced myeloid leukemia cell differentiation protein Mcl-1	Cytosolic other	Q07820	MCL1_HUMAN		Ki	5.39		CHEMBL
Carbonic anhydrase 13	Enzyme		CAH13_MOUSE		Ki	5.04		CHEMBL
Amine oxidase [flavin-containing] B	Enzyme		AOFB_RAT		IC50	4.92		CHEMBL
Amine oxidase [flavin-containing] A	Enzyme		AOFA_RAT		IC50	4.39		CHEMBL
Carbonic anhydrase 15	Enzyme		CAH15_MOUSE		Ki	4.40		CHEMBL

External reference:

ID	Source
D07751	KEGG_DRUG
2898	RXNORM
C0010206	UMLSCUI
CHEBI:28794	CHEBI
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

Pharmaceutical products:

Product	Category	Ingredients	NDC	Form	Quantity	Route	Marketing	Label
Dairy Allergen Mix	HUMAN OTC DRUG LABEL	38	43742-1277	LIQUID	8 [hp_X]	ORAL	unapproved drug other	9 sections
Anubis Barcelona Regul Oil	HUMAN OTC DRUG LABEL	38	83021-742	CREAM	0.00 g	TOPICAL	OTC monograph final	9 sections
Anubis Barcelona Regul Oil	HUMAN OTC DRUG LABEL	38	83021-742	CREAM	0.00 g	TOPICAL	OTC monograph final	9 sections