SSR180711

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Synonyms
Status
Molecule Category Free-form
UNII QF4P1U1666
EPA CompTox DTXSID2047359

Structure

InChI Key RXLOZRCLQMJJLC-UHFFFAOYSA-N
Smiles 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
Number of Rotational Bond 1.0
Polar Surface Area 32.78
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Neuronal acetylcholine receptor protein alpha-7 subunit partial agonist 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 - - 14-38 -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 46
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
900 - - 14-14 46
Rattus norvegicus
- - - 22-38 -

Target Conservation

Protein: Neuronal acetylcholine receptor protein alpha-7 subunit
Description: Neuronal acetylcholine receptor subunit alpha-7
Organism : Homo sapiens
P36544 ENSG00000175344

Cross References

Resources Reference
ChEMBL CHEMBL559478
FDA SRS QF4P1U1666
SureChEMBL SCHEMBL1427769
ZINC ZINC000000008849
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