Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: SC4RYG0M76

Structure

InChI Key MTOUOUSKXWSTAX-UHFFFAOYSA-N
Smile CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1
InChI
InChI=1S/C19H24N4O3S/c1-12(2)23-10-9-17(21-23)27(25,26)22-19(24)20-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h9-12H,3-8H2,1-2H3,(H2,20,22,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24N4O3S
Molecular Weight 388.49
AlogP 2.95
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 93.09
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Unclassified protein
- 14-16 - - 42.7

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 1 D010300 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4650350
FDA SRS SC4RYG0M76