SB 272183   Click here for help

GtoPdb Ligand ID: 75

Synonyms: SB-272183
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 51.71
Molecular weight 497.2
XLogP 5.02
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES CN1CCN(CC1)c1cc2c(cc1Cl)CCN2C(=O)Nc1ccc(c2c1cccc2)c1ccncc1
Isomeric SMILES CN1CCN(CC1)c1cc2c(cc1Cl)CCN2C(=O)Nc1ccc(c2c1cccc2)c1ccncc1
InChI InChI=1S/C29H28ClN5O/c1-33-14-16-34(17-15-33)28-19-27-21(18-25(28)30)10-13-35(27)29(36)32-26-7-6-22(20-8-11-31-12-9-20)23-4-2-3-5-24(23)26/h2-9,11-12,18-19H,10,13-17H2,1H3,(H,32,36)
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT1D receptor Hs Antagonist Antagonist 8.7 pKi - 1
pKi 8.7 [1]
5-HT1B receptor Hs Antagonist Antagonist 8.1 pKi - 1
pKi 8.1 [1]
5-HT1A receptor Hs Antagonist Antagonist 8.0 pKi - 1
pKi 8.0 [1]