PD123177   Click here for help

GtoPdb Ligand ID: 596

Synonyms: PD 123177 | PD-123177
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 101.45
Molecular weight 480.22
XLogP 1.68
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc(c(c1)C)N
Isomeric SMILES OC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc(c(c1)C)N
InChI InChI=1S/C29H28N4O3/c1-19-14-20(12-13-23(19)30)16-32-18-31-24-17-33(26(29(35)36)15-25(24)32)28(34)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-14,18,26-27H,15-17,30H2,1H3,(H,35,36)
1. Chang RS, Lotti VJ. (1990)
Two distinct angiotensin II receptor binding sites in rat adrenal revealed by new selective nonpeptide ligands.
Mol Pharmacol, 37 (3): 347-51. [PMID:2314387]
2. Chiu AT, Herblin WF, McCall DE, Ardecky RJ, Carini DJ, Duncia JV, Pease LJ, Wong PC, Wexler RR, Johnson AL et al.. (1989)
Identification of angiotensin II receptor subtypes.
Biochem Biophys Res Commun, 165 (1): 196-203. [PMID:2590220]
3. Dudley DT, Summerfelt RM. (1993)
Regulated expression of angiotensin II (AT2) binding sites in R3T3 cells.
Regul Pept, 44 (2): 199-206. [PMID:8469774]