SSR180711

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: QF4P1U1666

Structure
InChI Key RXLOZRCLQMJJLC-UHFFFAOYSA-N
Smile O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2
InChI
InChI=1S/C14H17BrN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H17BrN2O2
Molecular Weight 325.21
AlogP 2.73
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 32.78
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
PARTIAL AGONIST Neuronal acetylcholine receptor protein alpha-7 subunit partial agonist PubMed 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
900-4400 - - 14-14 -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 46

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 2 D000544 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL559478
EPA CompTox DTXSID2047359
FDA SRS QF4P1U1666
SureChEMBL SCHEMBL1427769
ZINC ZINC000000008849
CONTENTS