CIANIDANOL

Search structure
Synonyms:
Status: Approved (1977)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8R1V1STN48

Structure
InChI Key PFTAWBLQPZVEMU-DZGCQCFKSA-N
Smile Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2
InChI
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H14O6
Molecular Weight 290.27
AlogP 1.55
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 110.38
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 36700-80000 40700 - 38
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily
- 35000 - - -
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - 49200 - -
Enzyme
- 36700-80000 40700 600 38
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 73
Unclassified protein
- - - - 61-90

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 15600
ChEMBL CHEMBL311498
DrugBank DB14086
DrugCentral 629
EPA CompTox DTXSID3022322
FDA SRS 8R1V1STN48
Human Metabolome Database HMDB0037953
KEGG C06562
PDB KXN
PubChem 9064
SureChEMBL SCHEMBL19741
ZINC ZINC000000119983
CONTENTS