Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8A63K3TN0U

Structure

InChI Key GNHHCBSBCDGWND-KRWDZBQOSA-N
Smile COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(C)=O)cc2C1
InChI
InChI=1S/C18H18ClNO4S/c1-11(21)24-16-9-12-10-20(8-7-15(12)25-16)17(18(22)23-2)13-5-3-4-6-14(13)19/h3-6,9,17H,7-8,10H2,1-2H3/t17-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H18ClNO4S
Molecular Weight 379.87
AlogP 3.6
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 55.84
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acute Coronary Syndrome 1 D054058 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2042273
DrugBank DB16349
FDA SRS 8A63K3TN0U
PubChem 53378151
SureChEMBL SCHEMBL12438770
ZINC ZINC000084654546