SULCARDINE

Search structure
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4Q5HLV8HG1

Structure
InChI Key SYZGIWXQGIBJGN-UHFFFAOYSA-N
Smile COc1ccc(S(=O)(=O)NCc2cc(CN3CCCC3)c(O)c(CN3CCCC3)c2)cc1
InChI
InChI=1S/C24H33N3O4S/c1-31-22-6-8-23(9-7-22)32(29,30)25-16-19-14-20(17-26-10-2-3-11-26)24(28)21(15-19)18-27-12-4-5-13-27/h6-9,14-15,25,28H,2-5,10-13,16-18H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H33N3O4S
Molecular Weight 459.61
AlogP 3.07
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 82.11
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 69200 - - -

Cross References

Resources Reference
ChEMBL CHEMBL3638051
FDA SRS 4Q5HLV8HG1
PubChem 10143275
SureChEMBL SCHEMBL6269847
ZINC ZINC000034315595
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