Synonyms:
Status: Approved (2024)
Entry Type: Small molecule
Molecule Category: Free-form
UNII: EUT3557RT5

Structure

InChI Key SGEIEGAXKLMUIZ-XUVDNFPMSA-N
Smile [O-][n+]1cccc(/C(Cl)=N/OC[C@H](O)CN2CCCCC2)c1
InChI
InChI=1S/C14H20ClN3O3/c15-14(12-5-4-8-18(20)9-12)16-21-11-13(19)10-17-6-2-1-3-7-17/h4-5,8-9,13,19H,1-3,6-7,10-11H2/b16-14-/t13-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H20ClN3O3
Molecular Weight 313.79
AlogP 1.08
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 72.0
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myositis, Inclusion Body 3 D018979 ClinicalTrials
Amyotrophic Lateral Sclerosis 3 D000690 ClinicalTrials
Gaucher Disease 2 D005776 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 289893-25-0
ChEMBL CHEMBL2107726
DrugBank DB05025
EPA CompTox DTXSID5057701
FDA SRS EUT3557RT5
Guide to Pharmacology 8271
PubChem 9568077
SureChEMBL SCHEMBL2324741