BERUBICIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6QPN83HK2M

Structure
InChI Key FIGNGSHKNAHTSH-JJMFXPFOSA-N
Smile COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](OCc2ccccc2)[C@H](C)O1
InChI
InChI=1S/C34H35NO11/c1-16-33(44-15-17-7-4-3-5-8-17)20(35)11-24(45-16)46-22-13-34(42,23(37)14-36)12-19-26(22)32(41)28-27(30(19)39)29(38)18-9-6-10-21(43-2)25(18)31(28)40/h3-10,16,20,22,24,33,36,39,41-42H,11-15,35H2,1-2H3/t16-,20-,22-,24-,33+,34-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H35NO11
Molecular Weight 633.65
AlogP 2.23
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 8.0
Polar Surface Area 195.07
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 46.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glioblastoma 2 D005909 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2110580
EPA CompTox DTXSID70217986
FDA SRS 6QPN83HK2M
PubChem 9874592
ZINC ZINC000072267022
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