MOEXIPRIL

Search structure
Synonyms:
Status: Approved (1995)
Entry Type: Small molecule
Molecule Category: Parent Prodrug
ATC: C09AA13
UNII: WT87C52TJZ

Structure
InChI Key UWWDHYUMIORJTA-HSQYWUDLSA-N
Smile CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O
InChI
InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H34N2O7
Molecular Weight 498.58
AlogP 2.58
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 114.4
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 36.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
- 3-56 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Liver Cirrhosis, Biliary 2 D008105 ClinicalTrials

Related Entries

MCS

Scaffolds

UNKNOWN

Cross References

Resources Reference
CAS NUMBER 103775-10-6
ChEBI 6960
ChEMBL CHEMBL1165
DrugBank DB00691
DrugCentral 1827
EPA CompTox DTXSID9023330
FDA SRS WT87C52TJZ
Human Metabolome Database HMDB0014829
Guide to Pharmacology 6571
KEGG C07704
PharmGKB PA164769059
PubChem 91270
SureChEMBL SCHEMBL34030
ZINC ZINC000003812306
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