BERUBICIN HYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7BA3X03948

Structure
InChI Key GPMIHHFZKBVWAZ-LMMKTYIZSA-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.Cl
InChI
InChI=1S/C34H35NO11.ClH/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;1H/t16-,20-,22-,24-,33+,34-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H36ClNO11
Molecular Weight 670.11
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

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA topoisomerase II inhibitor Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glioma 1 D005910 ClinicalTrials
Carcinoma 1 D002277 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2103796
FDA SRS 7BA3X03948
PubChem 9874591
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