Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: WI638GUS96

Structure

InChI Key FASDKYOPVNHBLU-SSDOTTSWSA-N
Smile CCCN[C@@H]1CCc2nc(N)sc2C1
InChI
InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H17N3S
Molecular Weight 211.33
AlogP 1.58
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 50.94
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 14.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Amyotrophic Lateral Sclerosis 3 D000690 ClinicalTrials
Hypereosinophilic Syndrome 2 D017681 ClinicalTrials
Asthma 2 D001249 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 104632-28-2
ChEMBL CHEMBL249420
DrugBank DB15130
EPA CompTox DTXSID50146624
FDA SRS WI638GUS96
PharmGKB PA164742949
PubChem 59868
SureChEMBL SCHEMBL74780
ZINC ZINC000003831352