Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A10BB12
UNII 6KY687524K
EPA CompTox DTXSID5040675

Structure

InChI Key WIGIZIANZCJQQY-RUCARUNLSA-N
Smiles CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O
InChI
InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19-

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H34N4O5S
Molecular Weight 490.63
AlogP 3.07
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 124.68
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Sulfonylurea receptor 1, Kir6.2 blocker BLOCKER PubMed PubMed PubMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
- 850 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 850 - - -
Rattus norvegicus
790 - - - 7.86-7.86

Target Conservation

Protein: Sulfonylurea receptor 1, Kir6.2

Description: ATP-binding cassette sub-family C member 8

Organism : Homo sapiens

Q09428 ENSG00000006071
Protein: Sulfonylurea receptor 1, Kir6.2

Description: ATP-sensitive inward rectifier potassium channel 11

Organism : Homo sapiens

Q14654 ENSG00000187486

Cross References

Resources Reference
ChEBI 5383
ChEMBL CHEMBL1481
DrugBank DB00222
DrugCentral 1300
FDA SRS 6KY687524K
Guide to Pharmacology 6820
SureChEMBL SCHEMBL16086
ZINC ZINC000100070954