Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5V14HD0N4Q

Structure

InChI Key QLMMOGWZCFQAPU-UHFFFAOYSA-N
Smile C#CCN(C)CC1=Cc2ccccc2Oc2ccccc21
InChI
InChI=1S/C19H17NO/c1-3-12-20(2)14-16-13-15-8-4-6-10-18(15)21-19-11-7-5-9-17(16)19/h1,4-11,13H,12,14H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17NO
Molecular Weight 275.35
AlogP 3.9
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 12.47
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials
Parkinson Disease 1 D010300 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 181296-84-4
ChEBI 41778
ChEMBL CHEMBL1232111
DrugBank DB12879
EPA CompTox DTXSID10171098
FDA SRS 5V14HD0N4Q
PDB DB0
PubChem 6419718
SureChEMBL SCHEMBL333032
ZINC ZINC000033943510