robalzotan   Click here for help

GtoPdb Ligand ID: 72

Synonyms: AZD-7371 | NAD 299 | NAD-299 | NAD299 | robalzotan tartrate hydrate
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 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 55.56
Molecular weight 318.17
XLogP 2.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES NC(=O)c1ccc(c2c1CC(CO2)N(C1CCC1)C1CCC1)F
Isomeric SMILES NC(=O)c1ccc(c2c1C[C@H](CO2)N(C1CCC1)C1CCC1)F
InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)/t13-/m1/s1
InChI Key MQTUXRKNJYPMCG-CYBMUJFWSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT1A receptor Hs Antagonist Antagonist 9.2 pKi - 1
pKi 9.2 (Ki 6.31x10-10 M) [1]