DAGLUTRIL

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Synonyms
Status
Molecule Category Free-form
UNII KKV299446X

Structure

InChI Key FVWPYVZWVOLAOP-DQEYMECFSA-N
Smiles CCOC(=O)[C@H](CCCc1ccccc1)C1(C(=O)N[C@H]2CCc3ccccc3N(CC(=O)O)C2=O)CCCC1
InChI
InChI=1S/C31H38N2O6/c1-2-39-29(37)24(15-10-13-22-11-4-3-5-12-22)31(19-8-9-20-31)30(38)32-25-18-17-23-14-6-7-16-26(23)33(28(25)36)21-27(34)35/h3-7,11-12,14,16,24-25H,2,8-10,13,15,17-21H2,1H3,(H,32,38)(H,34,35)/t24-,25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H38N2O6
Molecular Weight 534.65
AlogP 4.3
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 113.01
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 39.0

Pharmacology

Mechanism of Action Action Reference
Endothelin-converting enzyme 1 inhibitor INHIBITOR PubMed

Target Conservation

Protein: Neprilysin
Description: Neprilysin
Organism : Homo sapiens
P08473 ENSG00000196549
Protein: Endothelin-converting enzyme 1
Description: Endothelin-converting enzyme 1
Organism : Homo sapiens
P42892 ENSG00000117298

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL3989794
FDA SRS KKV299446X
Guide to Pharmacology 6506
PubChem 3038505
ZINC ZINC000084758960
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