OXI-4503

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: JH6Z94GLUD

Structure
InChI Key GSOXMQLWUDQTNT-WAYWQWQTSA-N
Smile COc1cc(/C=C\c2ccc(OC)c(OP(=O)(O)O)c2OP(=O)(O)O)cc(OC)c1OC
InChI
InChI=1S/C18H22O12P2/c1-25-13-8-7-12(16(29-31(19,20)21)18(13)30-32(22,23)24)6-5-11-9-14(26-2)17(28-4)15(10-11)27-3/h5-10H,1-4H3,(H2,19,20,21)(H2,22,23,24)/b6-5-

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H22O12P2
Molecular Weight 492.31
AlogP 2.83
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 10.0
Polar Surface Area 170.44
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 32.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1205402
DrugBank DB05143
FDA SRS JH6Z94GLUD
PubChem 6918546
SureChEMBL SCHEMBL12677563
ZINC ZINC000003994214
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