RIGOSERTIB SODIUM

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Salt
UNII: 406FL5G00V
Parent Compound: RIGOSERTIB

Structure
InChI Key VLQLUZFVFXYXQE-USRGLUTNSA-M
Smile COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)[O-])c2)c(OC)c1.[Na+]
InChI
InChI=1S/C21H25NO8S.Na/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24;/h5-11,22H,12-13H2,1-4H3,(H,23,24);/q;+1/p-1/b8-7+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H24NNaO8S
Molecular Weight 473.48
AlogP 2.8
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 120.39
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 31.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Anemia, Refractory, with Excess of Blasts 3 D000754 ClinicalTrials
Leukemia, Myelomonocytic, Chronic 3 D015477 ClinicalTrials
Myelodysplastic Syndromes 2 D009190 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Leukemia, Myeloid, Acute 2 D015470 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 1 D015451 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Leukemia, Myelogenous, Chronic, BCR-ABL Positive 1 D015464 ClinicalTrials
Epidermolysis Bullosa Dystrophica 0 D016108 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEBI 145421
ChEMBL CHEMBL2013119
FDA SRS 406FL5G00V
PubChem 23696523
SureChEMBL SCHEMBL498729
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