KW-2478

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: QY50S617NM

Structure
InChI Key VFUXSYAXEKYYMB-UHFFFAOYSA-N
Smile CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC
InChI
InChI=1S/C30H42N2O9/c1-5-22-23(19-28(35)32(11-13-37-2)12-14-38-3)29(25(34)20-24(22)33)30(36)21-6-7-26(27(18-21)39-4)41-17-10-31-8-15-40-16-9-31/h6-7,18,20,33-34H,5,8-17,19H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H42N2O9
Molecular Weight 574.67
AlogP 2.27
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 16.0
Polar Surface Area 127.23
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 41.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Lymphocytic, Chronic, B-Cell 1 D015451 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4300557
EPA CompTox DTXSID80231491
FDA SRS QY50S617NM
PDB ET3
PubChem 23116321
SureChEMBL SCHEMBL2860089
ZINC ZINC000068202727
ChEMBL CHEMBL4297298
EPA CompTox DTXSID40231492
FDA SRS E628ZH6U2C
PubChem 23116321
SureChEMBL SCHEMBL2862975
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