Structure

InChI Key LNXDUSQEXVQFGP-UHFFFAOYSA-N
Smile O=C(CN1CCOCC1)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1
InChI
InChI=1S/C21H31N3O3/c25-21(16-23-12-14-26-15-13-23)22-17-4-6-19(7-5-17)27-20-8-10-24(11-9-20)18-2-1-3-18/h4-7,18,20H,1-3,8-16H2,(H,22,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H31N3O3
Molecular Weight 373.5
AlogP 2.35
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 54.04
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INVERSE AGONIST Histamine H3 receptor inverse agonist PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Narcolepsy 2 D009290 ClinicalTrials
Cognitive Dysfunction 1 D060825 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1394808-82-2
ChEMBL CHEMBL4297328
DrugBank DB14835
FDA SRS 65V47O9NOP
Guide to Pharmacology 10232
SureChEMBL SCHEMBL12484542