TRANDOLAPRIL

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C09AA10
UNII 1T0N3G9CRC
EPA CompTox DTXSID2023692

Structure

InChI Key VXFJYXUZANRPDJ-WTNASJBWSA-N
Smiles CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21
InChI
InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16-,18+,19-,20-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H34N2O5
Molecular Weight 430.55
AlogP 2.77
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 95.94
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Angiotensin-converting enzyme inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
- 0.93 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 102.1-118
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 102.1-118

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 9649
ChEMBL CHEMBL1519
DrugBank DB00519
DrugCentral 2712
FDA SRS 1T0N3G9CRC
Human Metabolome Database HMDB0014660
Guide to Pharmacology 6453
KEGG D00383
PharmGKB PA451737
PubChem 5484727
SureChEMBL SCHEMBL16610
ZINC ZINC000001853205
CONTENTS