Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 07802BU06S

Structure

InChI Key LGGDLPSXAGQFSG-UHFFFAOYSA-N
Smile O=C(Nc1nc(-c2ccc(O)c(O)c2)c(-c2ccccc2)s1)c1ccc(O)c(O)c1
InChI
InChI=1S/C22H16N2O5S/c25-15-8-6-13(10-17(15)27)19-20(12-4-2-1-3-5-12)30-22(23-19)24-21(29)14-7-9-16(26)18(28)11-14/h1-11,25-28H,(H,23,24,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H16N2O5S
Molecular Weight 420.45
AlogP 4.55
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 122.91
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297421
FDA SRS 07802BU06S
PubChem 44253415
SureChEMBL SCHEMBL10036527