Synonyms:
Status: Phase 1
Entry Type: Oligosaccharide
Molecule Category: UNKNOWN
UNII: 1J0593208B

Structure

InChI Key YUQCJZVVMQZBFE-JPUFUMQZSA-N
Smile CC(=O)N[C@H]1[C@@H](O[C@@H]2C(C(=O)O)O[C@@H](O[C@@H]3[C@@H](CO)O[C@H](O[C@@H](CO)C(O[C@H](O)CO)C(=O)O)[C@H](NC(C)=O)[C@H]3O)[C@H](OS(=O)(=O)O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C28H46N2O26S/c1-7(35)29-13-16(39)15(38)9(3-31)49-27(13)54-21-18(41)22(56-57(46,47)48)28(55-23(21)25(44)45)53-19-10(4-32)50-26(14(17(19)40)30-8(2)36)51-11(5-33)20(24(42)43)52-12(37)6-34/h9-23,26-28,31-34,37-41H,3-6H2,1-2H3,(H,29,35)(H,30,36)(H,42,43)(H,44,45)(H,46,47,48)/t9-,10-,11+,12+,13-,14-,15-,16-,17-,18+,19-,20?,21+,22-,23?,26-,27-,28-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H46N2O26S
Molecular Weight 858.73
AlogP -9.2
Hydrogen Bond Acceptor 23.0
Hydrogen Bond Donor 14.0
Number of Rotational Bond 19.0
Polar Surface Area 443.08
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 57.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Myeloma 1 D009101 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4280766
FDA SRS 1J0593208B