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
ChemSpider
10131932
ChEMBL
CHEMBL1256844
Predicted Properties
PropertyValueSource
Water Solubility0.263 mg/mLALOGPS
logP2.81ALOGPS
logP1.52Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)8.21Chemaxon
pKa (Strongest Basic)8.95Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area60.85 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity96.78 m3·mol-1Chemaxon
Polarizability38.48 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon