VOSAROXIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01XX53
UNII: K6A90IIZ19

Structure
InChI Key XZAFZXJXZHRNAQ-STQMWFEESA-N
Smile CN[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1OC
InChI
InChI=1S/C18H19N5O4S/c1-19-12-8-22(9-13(12)27-2)14-4-3-10-15(24)11(17(25)26)7-23(16(10)21-14)18-20-5-6-28-18/h3-7,12-13,19H,8-9H2,1-2H3,(H,25,26)/t12-,13-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H19N5O4S
Molecular Weight 401.45
AlogP 0.96
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 109.58
Molecular species ZWITTERION
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myeloid, Acute 3 D015470 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Myelodysplastic Syndromes 2 D009190 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 1 D054198 ClinicalTrials
Leukemia, Myelogenous, Chronic, BCR-ABL Positive 1 D015464 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 175414-77-4
ChEMBL CHEMBL68117
DrugBank DB11999
FDA SRS K6A90IIZ19
PubChem 9952884
SureChEMBL SCHEMBL674441
ZINC ZINC000026186622
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