Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: WG93X96336

Structure

InChI Key LXENKEWVEVKKGV-BQYQJAHWSA-N
Smile COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(OP(=O)(O)O)c2)c(OC)c1
InChI
InChI=1S/C19H23O10PS/c1-25-14-10-17(27-3)15(18(11-14)28-4)7-8-31(23,24)12-13-5-6-16(26-2)19(9-13)29-30(20,21)22/h5-11H,12H2,1-4H3,(H2,20,21,22)/b8-7+

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H23O10PS
Molecular Weight 474.42
AlogP 2.78
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 137.82
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR G1/S-specific cyclin D1 inhibitor Other PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 865783-99-9
ChEMBL CHEMBL1206245
DrugBank DB12004
FDA SRS WG93X96336
PubChem 11248490
SureChEMBL SCHEMBL1634579
ZINC ZINC000028965775