GOSSYPOL

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: KAV15B369O

Structure
InChI Key QBKSWRVVCFFDOT-UHFFFAOYSA-N
Smile Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
InChI
InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H30O8
Molecular Weight 518.56
AlogP 6.38
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 155.52
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 38.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 46000-82000 - - 73.2-76.3
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- - - - 31
Enzyme Oxidoreductase
- 250-330 - 1900-1900 100
Enzyme Transferase
- 14150 - - 8.739-15.02
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -27.13-2.65
Ion channel Other ion channel Miscellaneous ion channel Bcl-2 family
- 260-2110 1710-338000 170-10100 100
Other cytosolic protein
- 170-4800 2324-2650 162-6543 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 1
- 2551.34 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- 7160 - - -
Transcription factor
- 2551.34 - - 31
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC02 family of hexose and sugar alcohol transporters
- - - 20000 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- 3235.94 - 1780 15.81-58.3
Unclassified protein
- 1750 - - 93-97

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 303-45-7
ChEMBL CHEMBL51483
DrugBank DB17379
DrugCentral 1328
EPA CompTox DTXSID5023110
FDA SRS KAV15B369O
Human Metabolome Database HMDB40723
Guide to Pharmacology 4204
KEGG C07667
PDB GO3
PubChem 3503
SureChEMBL SCHEMBL3939
ZINC ZINC000003775575
CONTENTS