Explore a selection of our essential drug information below, or:
Identification
- Summary
Hymecromone is a coumarin derivative that lacks anticoagulant properties but possesses choleretic and biliary antispasmodic activity.
- Generic Name
- Hymecromone
- DrugBank Accession Number
- DB07118
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental, Investigational
- Structure
Structure for Hymecromone (DB07118)
- Weight
- Average: 176.1687
Monoisotopic: 176.047344122 - Chemical Formula
- C10H8O3
- Synonyms
- 4-methylumbelliferone
- himecromona
- Hymecromone
- External IDs
- LM-94
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Treatment of Biliary dyskinesia •••••••••••• ••••••• •••••• Treatment of Dyspepsia •••••••••••• ••••••• •••••• Adjunct therapy in treatment of Gallbladder inflammation •••••••••••• ••••••• •••••• Treatment of Biliary spasm •••••••••••• ••••••• •••••• Treatment of Biliary spasm •••••••••••• •••••• - Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UArylsulfate sulfotransferase AssT Not Available Escherichia coli O1:K1 / APEC - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAcetohexamide The therapeutic efficacy of Acetohexamide can be increased when used in combination with Hymecromone. Chlorpropamide The therapeutic efficacy of Chlorpropamide can be increased when used in combination with Hymecromone. Dexmethylphenidate The serum concentration of the active metabolites of Hymecromone can be increased when Hymecromone is used in combination with Dexmethylphenidate. Diazoxide The serum concentration of Hymecromone can be increased when it is combined with Diazoxide. Doxycycline The therapeutic efficacy of Hymecromone can be increased when used in combination with Doxycycline. - Food Interactions
- Not Available
Products
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Categories
- ATC Codes
- A05AX02 — Hymecromone
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
- Kingdom
- Organic compounds
- Super Class
- Phenylpropanoids and polyketides
- Class
- Coumarins and derivatives
- Sub Class
- Hydroxycoumarins
- Direct Parent
- 7-hydroxycoumarins
- Alternative Parents
- 1-benzopyrans / Pyranones and derivatives / 1-hydroxy-2-unsubstituted benzenoids / Heteroaromatic compounds / Lactones / Oxacyclic compounds / Organooxygen compounds / Organic oxides / Hydrocarbon derivatives
- Substituents
- 1-benzopyran / 1-hydroxy-2-unsubstituted benzenoid / 7-hydroxycoumarin / Aromatic heteropolycyclic compound / Benzenoid / Benzopyran / Heteroaromatic compound / Hydrocarbon derivative / Lactone / Organic oxide
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- hydroxycoumarin (CHEBI:17224) / a small molecule (CPD-182)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 3T5NG4Q468
- CAS number
- 90-33-5
- InChI Key
- HSHNITRMYYLLCV-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
- IUPAC Name
- 7-hydroxy-4-methyl-2H-chromen-2-one
- SMILES
- CC1=CC(=O)OC2=C1C=CC(O)=C2
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0059622
- KEGG Compound
- C03081
- PubChem Compound
- 5280567
- PubChem Substance
- 99443589
- ChemSpider
- 4444190
- BindingDB
- 50022178
- 5556
- ChEBI
- 17224
- ChEMBL
- CHEMBL12208
- ZINC
- ZINC000000058121
- PharmGKB
- PA154081778
- PDBe Ligand
- 4MU
- Wikipedia
- Hymecromone
- PDB Entries
- 3ets / 4ax7 / 4v28 / 5ik5 / 5ik8 / 5jr3 / 6z69
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Completed Treatment Pulmonary Hypertension (PH) 1 somestatus stop reason just information to hide 2 Not Yet Recruiting Treatment Idiopathic Pulmonary Fibrosis (IPF) / Interstitial Lung Disease 1 somestatus stop reason just information to hide 2 Recruiting Treatment Primary Sclerosing Cholangitis (PSC) 1 somestatus stop reason just information to hide 2 Unknown Status Treatment Chronic Hepatitis B Infection / Chronic Hepatitis C Virus (HCV) Infection 1 somestatus stop reason just information to hide 1 Completed Treatment Healthy Volunteers (HV) / Respiratory Diseases 1 somestatus stop reason just information to hide
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Capsule Tablet, coated Tablet 400 mg - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 1.99 mg/mL ALOGPS logP 2.19 ALOGPS logP 1.78 Chemaxon logS -2 ALOGPS pKa (Strongest Acidic) 7.8 Chemaxon pKa (Strongest Basic) -7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 46.53 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 47.81 m3·mol-1 Chemaxon Polarizability 17.42 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9944 Blood Brain Barrier + 0.8446 Caco-2 permeable + 0.9151 P-glycoprotein substrate Non-substrate 0.5419 P-glycoprotein inhibitor I Non-inhibitor 0.9142 P-glycoprotein inhibitor II Non-inhibitor 0.9356 Renal organic cation transporter Non-inhibitor 0.879 CYP450 2C9 substrate Non-substrate 0.7144 CYP450 2D6 substrate Non-substrate 0.9227 CYP450 3A4 substrate Non-substrate 0.7142 CYP450 1A2 substrate Inhibitor 0.9108 CYP450 2C9 inhibitor Non-inhibitor 0.907 CYP450 2D6 inhibitor Non-inhibitor 0.9725 CYP450 2C19 inhibitor Non-inhibitor 0.9025 CYP450 3A4 inhibitor Non-inhibitor 0.8379 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.8952 Ames test Non AMES toxic 0.9132 Carcinogenicity Non-carcinogens 0.9167 Biodegradation Not ready biodegradable 0.6791 Rat acute toxicity 1.8812 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9281 hERG inhibition (predictor II) Non-inhibitor 0.9656
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 139.9954775 predictedDarkChem Lite v0.1.0 [M-H]- 139.9197775 predictedDarkChem Lite v0.1.0 [M-H]- 133.65472 predictedDeepCCS 1.0 (2019) [M+H]+ 142.1073775 predictedDarkChem Lite v0.1.0 [M+H]+ 140.7478775 predictedDarkChem Lite v0.1.0 [M+H]+ 136.4803 predictedDeepCCS 1.0 (2019) [M+Na]+ 140.0697775 predictedDarkChem Lite v0.1.0 [M+Na]+ 140.3431775 predictedDarkChem Lite v0.1.0 [M+Na]+ 145.3844 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Escherichia coli O1:K1 / APEC
- Pharmacological action
- Unknown
- General Function
- Catalyzes the transfer of sulfuryl groups between phenolic compounds.
- Specific Function
- Aryl sulfotransferase activity
- Gene Name
- assT
- Uniprot ID
- A0A0H2Z368
- Uniprot Name
- Arylsulfate sulfotransferase AssT
- Molecular Weight
- 66545.805 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Drug created at September 15, 2010 21:19 / Updated at September 12, 2023 18:32