ILEPATRIL

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Synonyms
Status
Molecule Category Free-form
UNII 5N1YAP5FCM
EPA CompTox DTXSID7047356

Structure

InChI Key FXKFFTMLFPWYFH-RDGPPVDQSA-N
Smiles CC(=O)S[C@H](C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)N2C1=O)C(C)C
InChI
InChI=1S/C22H28N2O5S/c1-12(2)19(30-13(3)25)20(26)23-16-11-14-7-4-5-8-15(14)17-9-6-10-18(22(28)29)24(17)21(16)27/h4-5,7-8,12,16-19H,6,9-11H2,1-3H3,(H,23,26)(H,28,29)/t16-,17+,18-,19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28N2O5S
Molecular Weight 432.54
AlogP 2.54
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 103.78
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Angiotensin-converting enzyme inhibitor INHIBITOR PubMed PubMed PubMed

Target Conservation

Protein: Neprilysin
Description: Neprilysin
Organism : Homo sapiens
P08473 ENSG00000196549
Protein: Angiotensin-converting enzyme
Description: Angiotensin-converting enzyme
Organism : Homo sapiens
P12821 ENSG00000159640

Cross References

Resources Reference
ChEMBL CHEMBL3187812
DrugBank DB06604
FDA SRS 5N1YAP5FCM
SureChEMBL SCHEMBL171139
ZINC ZINC000003928701
CONTENTS