General
Preferred name
COUMARIN
Synonyms
2H-chromen-2-one ()
Coumarinum ()
Lodema ()
Cis-o-coumarinic acid lactone ()
1,2-benzopyrone ()
Cumarin ()
NSC-8774 ()
Coumarinic lactone ()
Nci-c07103 ()
Tonka bean camphor ()
Coumarin (prohibited) ()
O-hydroxycinnamic acid lactone ()
P&D ID
PD002499
CAS
91-64-5
Tags
available
drug
Drug indication
Discovery agent
Drug Status
approved
withdrawn
experimental
Max Phase
4.0
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Coumarin is a potent and orally active anti-inflammatory agent. Coumarin shows an antinociceptive effect. Coumarin shows antibacterial, antifungal and anticancer activity[1][2].
PRICE
29
DESCRIPTION
Coumarin is a chemical compound/poison found in many plants, notably in high concentration in the tonka bean, woodruff, and bison grass. It has clinical value as the precursor for several anticoagulants, notably warfarin.
DESCRIPTION
Coumarin is an edema modifier, known to stimulate macrophages to degrade extracellular albumin, allowing faster resorption of edematous fluids. It has anti-cancer, anti-inflammation, anti-virus and other pharmacological activities.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
Coumarin is a pharmaceutic aid (flavor) that is found in tonka beans, levender oil, woodruff, sweet clover. It has many pharmacological activities, including anticancer, anti-inflammation and antivirus activities.
(Enamine Bioactive Compounds)
DESCRIPTION
In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates at 75 uM; PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of thyroid hormone receptor beta signaling. (Class of assay: confirmatory)
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
20
BOC Sciences Bioactive Compounds
ChEMBL Approved Drugs
ChEMBL Drugs
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMatrix
Enamine Bioactive Compounds
JUMP-Target 1 Compound Set
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
Withdrawn 2.0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
43
Molecular Weight
146.04
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
2
cLogP
1.79
TPSA
30.21
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.53
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Indication
ulcerative colitis, asthma, celiac disease
Disease Area
gastroenterology, pulmonary
Target
CA1, CA12, CA14, CA2, CA4, CA6, CA9, CYP2A6
CA14
Bacterial
Fungal
Immunology & Inflammation related
MOA
vitamin K antagonist
ATC
B
Toxicity type
hepatic
Pathway
Anti-infection
Solubility
Soluble in Chloroform (Slightly), Methanol (Slightly)
Source data
