13-DEOXYDOXORUBICIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 1S9VO1DQG5

Structure
InChI Key RGVRUQHYQSORBY-JIGXQNLBSA-N
Smile COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(CCO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
InChI
InChI=1S/C27H31NO10/c1-11-22(30)14(28)8-17(37-11)38-16-10-27(35,6-7-29)9-13-19(16)26(34)21-20(24(13)32)23(31)12-4-3-5-15(36-2)18(12)25(21)33/h3-5,11,14,16-17,22,29-30,32,34-35H,6-10,28H2,1-2H3/t11-,14-,16-,17-,22+,27-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H31NO10
Molecular Weight 529.54
AlogP 0.82
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 189.0
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 38.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3249110
DrugBank DB05706
FDA SRS 1S9VO1DQG5
SureChEMBL SCHEMBL18659500
ZINC ZINC000003921098
CONTENTS