OLODANRIGAN

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Synonyms
Status
Molecule Category Free-form
UNII P0FN522VTO

Structure

InChI Key GHBCIXGRCZIPNQ-MHZLTWQESA-N
Smiles COc1ccc2c(c1OCc1ccccc1)C[C@@H](C(=O)O)N(C(=O)C(c1ccccc1)c1ccccc1)C2
InChI
InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)/t27-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H29NO5
Molecular Weight 507.59
AlogP 5.44
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 76.07
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 38.0

Pharmacology

Mechanism of Action Action Reference
Angiotensin II type 2 (AT-2) receptor antagonist ANTAGONIST Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Angiotensin receptor
- 0.58-39 - 39.5 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 39 - 39.5 -
Oryctolagus cuniculus
- 0.6 - - -
Rattus norvegicus
- - - 409 -

Target Conservation

Protein: Angiotensin II type 2 (AT-2) receptor
Description: Type-2 angiotensin II receptor
Organism : Homo sapiens
P50052 ENSG00000180772

Cross References

Resources Reference
ChEMBL CHEMBL34124
DrugBank DB16266
FDA SRS P0FN522VTO
Guide to Pharmacology 8374
PubChem 9937291
SureChEMBL SCHEMBL421411
ZINC ZINC000001483494
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