SALVIANOLIC ACID A

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 51622542XO

Structure
InChI Key YMGFTDKNIWPMGF-UCPJVGPRSA-N
Smile O=C(/C=C/c1ccc(O)c(O)c1/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O
InChI
InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H22O10
Molecular Weight 494.45
AlogP 3.34
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 8.0
Polar Surface Area 184.98
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 36.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 23500 - - -
Enzyme Lyase
- - - 40 -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 38300 - - -
Transcription factor
- - - - 30

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus 1 D003920 ClinicalTrials
Diabetic Neuropathies 1 D003929 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 96574-01-5
ChEBI 9017
ChEMBL CHEMBL457077
DrugBank DB15246
FDA SRS 51622542XO
KEGG C10492
PubChem 5281793
SureChEMBL SCHEMBL19235589
ZINC ZINC000004098737
CONTENTS