Bradanicline hydrochlorideProduct ingredient for Bradanicline
- Name
- Bradanicline hydrochloride
- Drug Entry
- Bradanicline
Bradanicline, a novel small molecule that modulates the activity of the neuronal nicotinic receptor (NNR) subtype known as alpha7(α7). Bradanicline belongs to a new class of drugs for the treatment of central nervous system diseases and disorders.
- Accession Number
- DBSALT001880
- Structure
Structure for Bradanicline hydrochloride (DBSALT001880)
- Synonyms
- Bradanicline HCl
- External IDs
- TC-5619-023
- UNII
- D266D7TY9B
- CAS Number
- 1111941-90-2
- Weight
- Average: 397.9
Monoisotopic: 397.1557047 - Chemical Formula
- C22H24ClN3O2
- InChI Key
- ISPRRZDPZDVHLE-OZYANKIXSA-N
- InChI
- InChI=1S/C22H23N3O2.ClH/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15;/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26);1H/t18-,21+;/m0./s1
- IUPAC Name
- N-[(2S,3R)-2-[(pyridin-3-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide hydrochloride
- SMILES
- Cl.[H][C@@]1(CC2=CC=CN=C2)N2CCC(CC2)[C@@]1([H])NC(=O)C1=CC2=C(O1)C=CC=C2
- External Links
- ChemSpider
- 32058870
- ChEMBL
- CHEMBL3137311
- Wikipedia
- Bradanicline
- Predicted Properties
Property Value Source Water Solubility 0.0559 mg/mL ALOGPS logP 2.74 ALOGPS logP 2.36 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 14.57 Chemaxon pKa (Strongest Basic) 7.44 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 58.37 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 103.6 m3·mol-1 Chemaxon Polarizability 40.05 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon