ZURANOLONE

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Synonyms
Status
Molecule Category Free-form
UNII 7ZW49N180B

Structure

InChI Key HARRKNSQXBRBGZ-GVKWWOCJSA-N
Smiles C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)Cn4cc(C#N)cn4)CC[C@@H]32)C1
InChI
InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H35N3O2
Molecular Weight 409.57
AlogP 4.34
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 78.91
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 30.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel GABA-A receptor
163-375 - - - -
Ion channel Voltage-gated ion channel Transient receptor potential channel
- - - - 95
Membrane receptor
- - - - 88
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
163-375 - - - 88-95
Rattus norvegicus
- 7 - - -

Cross References

Resources Reference
ChEMBL CHEMBL4105630
DrugBank DB15490
FDA SRS 7ZW49N180B
PubChem 86294073
SureChEMBL SCHEMBL16189866
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