SOTRASTAURIN ACETATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Salt
UNII: R1SIA15KZ1
Parent Compound: SOTRASTAURIN

Structure
InChI Key RVEUYBMXVVDLFO-UHFFFAOYSA-N
Smile CC(=O)O.CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1
InChI
InChI=1S/C25H22N6O2.C2H4O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18;1-2(3)4/h2-9,14,26H,10-13H2,1H3,(H,29,32,33);1H3,(H,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H26N6O4
Molecular Weight 498.54
AlogP 2.43
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 94.22
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 33.0

Indications

Mesh Heading Maximum Phase Reference
Leukemia; Leukemia, Lymphocytic, Chronic, B-Cell; Leukemia, Lymphoid; Leukemia, Prolymphocytic; Lymphoma; Lymphoma, Mantle-Cell Phase 2 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL2105655
FDA SRS R1SIA15KZ1
PubChem 24779745
SureChEMBL SCHEMBL3846239
CONTENTS