hymecromone Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
1401 90-33-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • hymecromone
  • imecromone
  • cantabilin
  • cholestil
  • cholspasmin
  • mendiaxon
  • bilcolic
  • bilicante
A coumarin derivative possessing properties as a spasmolytic, choleretic and light-protective agent. It is also used in ANALYTICAL CHEMISTRY TECHNIQUES for the determination of NITRIC ACID.
  • Molecular weight: 176.17
  • Formula: C10H8O3
  • CLOGP: 2.12
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 1
  • TPSA: 46.53
  • ALOGS: -1.95
  • ROTB: 0

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC A05AX02 ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
BILE THERAPY
Other drugs for bile therapy
MeSH PA D007202 Indicators and Reagents
CHEBI has role CHEBI:35610 cytostatic
CHEBI has role CHEBI:131561 ha inhibitor

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 8.16 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Carbonic anhydrase 12 Enzyme Ki 5.09 CHEMBL
Carbonic anhydrase 9 Enzyme Ki 6.25 CHEMBL
Amine oxidase [flavin-containing] B Enzyme IC50 4.09 CHEMBL
Testosterone 17-beta-dehydrogenase 3 Enzyme IC50 6 CHEMBL
Aldose reductase Enzyme IC50 4.61 CHEMBL
Aldose reductase Enzyme IC50 4.21 CHEMBL

External reference:

IDSource
N0000167012 NUI
D00170 KEGG_DRUG
C0917901 UMLSCUI
CHEBI:17224 CHEBI
4MU PDB_CHEM_ID
CHEMBL12208 ChEMBL_ID
DB07118 DRUGBANK_ID
D006923 MESH_DESCRIPTOR_UI
5280567 PUBCHEM_CID
1891 INN_ID
3T5NG4Q468 UNII
5556 RXNORM
005482 NDDF

Pharmaceutical products:

None