Gv 150526aProduct ingredient for Gavestinel
- Name
- Gv 150526a
- Drug Entry
- Gavestinel
Highly potent and selective non-competitive antagonist acting at the strychnine-insensitive glycine binding site of the NMDA receptor-channel complex (Kd = 0.8 nM). Gavestinel displays > 1000-fold selectivity over NMDA, AMPA and kainate binding sites and is orally bioavailable and active in vivo.
- Accession Number
- DBSALT002362
- Structure
Structure for Gv 150526a (DBSALT002362)
- Synonyms
- Not Available
- UNII
- 80W7787JVB
- CAS Number
- 153436-38-5
- Weight
- Average: 397.19
Monoisotopic: 396.0044419 - Chemical Formula
- C18H11Cl2N2NaO3
- InChI Key
- GRSDSTMFQHAESM-UHDJGPCESA-M
- InChI
- InChI=1S/C18H12Cl2N2O3.Na/c19-10-8-13(20)16-12(17(18(24)25)22-14(16)9-10)6-7-15(23)21-11-4-2-1-3-5-11;/h1-9,22H,(H,21,23)(H,24,25);/q;+1/p-1/b7-6+;
- IUPAC Name
- sodium 4,6-dichloro-3-[(1E)-2-(phenylcarbamoyl)eth-1-en-1-yl]-1H-indole-2-carboxylate
- SMILES
- [Na+].[O-]C(=O)C1=C(\C=C\C(=O)NC2=CC=CC=C2)C2=C(Cl)C=C(Cl)C=C2N1
- External Links
- ChemSpider
- 5293462
- ChEMBL
- CHEMBL419045
- Predicted Properties
Property Value Source Water Solubility 0.000966 mg/mL ALOGPS logP 4.64 ALOGPS logP 4.45 Chemaxon logS -5.6 ALOGPS pKa (Strongest Acidic) 5.04 Chemaxon pKa (Strongest Basic) -2 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 85.02 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 110 m3·mol-1 Chemaxon Polarizability 36.5 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