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
- himecromona
- Hymecromone
- External IDs
- LM-94
Pharmacology
- Indication
Not Available
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- Contraindications & Blackbox Warnings
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Not Available
- Mechanism of action
Target Actions Organism UArylsulfate sulfotransferase 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.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. Gliclazide The therapeutic efficacy of Gliclazide can be increased when used in combination with Hymecromone. Glimepiride The therapeutic efficacy of Glimepiride can be increased when used in combination with Hymecromone. Glipizide The therapeutic efficacy of Glipizide can be increased when used in combination with Hymecromone. Gliquidone The therapeutic efficacy of Gliquidone can be increased when used in combination with Hymecromone. Glyburide The therapeutic efficacy of Glyburide can be increased when used in combination with Hymecromone. 
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- 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
Phase Status Purpose Conditions Count 2 Not Yet Recruiting Treatment Primary Sclerosing Cholangitis (PSC) 1 1 Completed Treatment Healthy Subjects (HS) / Respiratory Diseases 1 Not Available Recruiting Treatment Coronavirus Disease 2019 (COVID‑19) 1
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
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 June 19, 2021 00:26