GOSSYPOL

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: XNA7DR63CQ

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 - - 73-76
Enzyme Oxidoreductase
- 250-330 - 1400 100
Enzyme
- 250-330 - 1900-1900 73-76
Ion channel Other ion channel Miscellaneous ion channel Bcl-2 family
- 260-2110 1710 170-10100 100
Other cytosolic protein
- 170-4800 2324-2650 162-6543 -
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
- 3236 - 1780 16-58
Unclassified protein
- - - - 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 DB13044
DrugCentral 1328
EPA CompTox DTXSID5023110
FDA SRS XNA7DR63CQ
Human Metabolome Database HMDB0040723
Guide to Pharmacology 4204
KEGG C07667
PubChem 3503
SureChEMBL SCHEMBL3939
ZINC ZINC000003775575
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