FISETIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: OO2ABO9578

Structure
InChI Key XHEFDIBZLJXQHF-UHFFFAOYSA-N
Smile O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12
InChI
InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10O6
Molecular Weight 286.24
AlogP 2.28
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 1.0
Polar Surface Area 111.13
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 8500-28400 - 90000 2
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC alpha subfamily
- - - - 85
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC delta subfamily
- - - - 85
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC eta subfamily
- - - - 85
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC iota subfamily
- - - - 85
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family
- - - - 85
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PDHK subfamily
- - - - 38
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 5000 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK5 subfamily
- 570 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 420 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 850-850 - - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- 350 - 170 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Syk family
19000 15000 - - -
Enzyme Kinase Protein kinase regulatory subunit
- 350 - 170 -
Enzyme Lyase
- - - 13183 -
Enzyme Oxidoreductase
- 1400 - - -
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C1A family
- 30000 - - -
Enzyme
19000 1000-1000 - 13183 2
Other cytosolic protein
- 790 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 109
Unclassified protein
- - - - 73-85

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Osteoarthritis, Knee 1 D020370 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 42567
ChEMBL CHEMBL31574
DrugBank DB07795
EPA CompTox DTXSID4022317
FDA SRS OO2ABO9578
Guide to Pharmacology 5182
KEGG C10041
PDB FSE
PubChem 5281614
SureChEMBL SCHEMBL39454
ZINC ZINC000000039111
CONTENTS