MALTOL

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3A9RD92BS4

Structure
InChI Key XPCTZQVDEJYUGT-UHFFFAOYSA-N
Smile Cc1occc(=O)c1O
InChI
InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6O3
Molecular Weight 126.11
AlogP 0.65
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 50.44
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 9.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - -
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M34 family
- - - - 19
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- - - - 19
Enzyme
- - - - 19
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 75

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Anemia, Iron-Deficiency 1 D018798 ClinicalTrials

Cross References

Resources Reference
ChEBI 69438
ChEMBL CHEMBL31422
EPA CompTox DTXSID0025523
FDA SRS 3A9RD92BS4
Human Metabolome Database HMDB0030776
KEGG C11918
PubChem 8369
SureChEMBL SCHEMBL4815
ZINC ZINC000000164488
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