ZD-7155   Click here for help

GtoPdb Ligand ID: 8324

Synonyms: ZD 7155 | ZD7155
PDB Ligand
Compound class: Synthetic organic
Comment: ZD-7155 is an orally active antagonist of the angiotensin II type 1 receptor. It is more potent and longer-acting than the prototype AT1 antagonist, losartan (in rats) [1].
ZD-7155 has been co-crystalised with a modified human AT1 receptor with PDB structure ID 4YAY [3].
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 6
Topological polar surface area 87.66
Molecular weight 438.22
XLogP 5.08
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES CCc1nc(CC)c2c(c1)N(Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)CC2
Isomeric SMILES CCc1nc(CC)c2c(c1)N(Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)CC2
InChI InChI=1S/C26H26N6O/c1-3-19-15-24-22(23(4-2)27-19)13-14-25(33)32(24)16-17-9-11-18(12-10-17)20-7-5-6-8-21(20)26-28-30-31-29-26/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,28,29,30,31)
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel