PTEROSTILBENE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 26R60S6A5I

Structure
InChI Key VLEUZFDZJKSGMX-ONEGZZNKSA-N
Smile COc1cc(/C=C/c2ccc(O)cc2)cc(OC)c1
InChI
InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H16O3
Molecular Weight 256.3
AlogP 3.58
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 38.69
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A1
- - - 570-570 -
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1B Cytochrome P450 1B1
- 1400 - 900-910 -
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1
- - - - 23.52
Enzyme Hydrolase
- - - - 14-27
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase BCR family
- 10000 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- 10000 - - -
Enzyme Oxidoreductase
- 530-9320 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- 550.5 - - -1.8-98.95
Ion channel Voltage-gated ion channel Transient receptor potential channel
3600 7500 - - -
Other cytosolic protein
- 10000 - - -
Secreted protein
- - 1900-4600 3500 -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 42000 - - -
Unclassified protein
- - - - 21.23

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Endometrial Neoplasms 2 D016889 ClinicalTrials
Acute Kidney Injury 2 D058186 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 8630
ChEMBL CHEMBL83527
EPA CompTox DTXSID9041106
FDA SRS 26R60S6A5I
Human Metabolome Database HMDB0130987
Guide to Pharmacology 2681
KEGG C10287
PDB 3RL
PubChem 5281727
SureChEMBL SCHEMBL20063
ZINC ZINC000000899213
CONTENTS