Structure

InChI Key DERJYEZSLHIUKF-UHFFFAOYSA-N
Smile CNNCc1ccc(C(=O)NC(C)C)cc1.Cl
InChI
InChI=1S/C12H19N3O.ClH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H20ClN3O
Molecular Weight 257.76
AlogP 1.05
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 53.16
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor DailyMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma 3 D008223 ClinicalTrials
Brain Neoplasms 3 D001932 ClinicalTrials
Central Nervous System Neoplasms 3 D016543 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Astrocytoma 2 D001254 ClinicalTrials
Lymphoma, AIDS-Related 2 D016483 ClinicalTrials

Cross References

Resources Reference
ChEBI 71428
ChEMBL CHEMBL1200410
EPA CompTox DTXSID3021190
FDA SRS XH0NPH5ZX8
KEGG C07376
SureChEMBL SCHEMBL22285843