Structure

InChI Key ZXFRFPSZAKNPQQ-YTWAJWBKSA-N
Smile O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1
InChI
InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H21N5O2
Molecular Weight 279.34
AlogP 0.61
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 103.79
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Glutamate receptor ionotropic AMPA antagonist PubMed PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Migraine Disorders 2 D008881 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 154652-83-2
ChEMBL CHEMBL14935
DrugBank DB06354
FDA SRS GA36S2O9C2
Guide to Pharmacology 4245
PubChem 23725095
SureChEMBL SCHEMBL1649338
ZINC ZINC000005134714
CAS NUMBER 154652-83-2
ChEMBL CHEMBL3989703
FDA SRS 6XN50U405Y
Guide to Pharmacology 4245
PubChem 23725095