SB-269970 hydrochlorideProduct ingredient for SB-269970
- Name
- SB-269970 hydrochloride
- Drug Entry
- SB-269970
SB-269970 is an experimental drug developed by GlaxoSmithKline. In the studies performed with this agent, it has been suggested that SB-269970 acts either as a selective antagonist or inverse agonist of the serotonin receptor 7 (5-HT7).2,3
- Accession Number
- DBSALT002645
- Structure
- Synonyms
- Not Available
- External IDs
- SB-269970 hydrochloride
- UNII
- DKP3XMW7KV
- CAS Number
- Not Available
- Weight
- Average: 388.95
Monoisotopic: 388.1587417 - Chemical Formula
- C18H29ClN2O3S
- InChI Key
- XQCJOYZLWFNDIO-PKLMIRHRSA-N
- InChI
- InChI=1S/C18H28N2O3S.ClH/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18;/h2,5-6,14-16,21H,3-4,7-13H2,1H3;1H/t16-;/m1./s1
- IUPAC Name
- 3-{[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl}phenol hydrochloride
- SMILES
- Cl.CC1CCN(CC[C@H]2CCCN2S(=O)(=O)C2=CC(O)=CC=C2)CC1
- External Links
- ChemSpider
- 10131932
- ChEMBL
- CHEMBL1256844
- Predicted Properties
Property Value Source Water Solubility 0.263 mg/mL ALOGPS logP 2.81 ALOGPS logP 1.52 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 8.21 Chemaxon pKa (Strongest Basic) 8.95 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 60.85 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 96.78 m3·mol-1 Chemaxon Polarizability 38.48 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon