ISPRONICLINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3E05NBH9V5

Structure
InChI Key RPCVIAXDAUMJJP-PZBABLGHSA-N
Smile CN[C@@H](C)C/C=C/c1cncc(OC(C)C)c1
InChI
InChI=1S/C14H22N2O/c1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4/h5,7-12,15H,6H2,1-4H3/b7-5+/t12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H22N2O
Molecular Weight 234.34
AlogP 2.88
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 34.15
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
PARTIAL AGONIST Neuronal acetylcholine receptor; alpha4/beta2 partial agonist Other Wikipedia PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
106 - - - -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit
106 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 2 D000544 ClinicalTrials
Schizophrenia 2 D012559 ClinicalTrials
Attention Deficit Disorder with Hyperactivity 2 D001289 ClinicalTrials
Memory Disorders 2 D008569 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL188462
DrugBank DB16205
FDA SRS 3E05NBH9V5
PubChem 9824145
SureChEMBL SCHEMBL366585
ZINC ZINC000003961864
CONTENTS