ANTHRALIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: U8CJK0JH5M

Structure
InChI Key NUZWLKWWNNJHPT-UHFFFAOYSA-N
Smile O=C1c2c(O)cccc2Cc2cccc(O)c21
InChI
InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H10O3
Molecular Weight 226.23
AlogP 2.23
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 57.53
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 41
Enzyme Oxidoreductase
- 12000-37000 - - -
Enzyme Protease Metallo protease Metallo protease MG clan Metallo protease M24A subfamily
- - - - 6
Epigenetic regulator Eraser Histone deacetylase HDAC class III
- 100-100 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 86

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 37510
ChEMBL CHEMBL46469
DrugBank DB11157
DrugCentral 226
EPA CompTox DTXSID7024538
FDA SRS U8CJK0JH5M
KEGG C06831
PubChem 2202
SureChEMBL SCHEMBL3197
ZINC ZINC000000001322
CONTENTS