e-Drug3D

1667
TRANDOLAPRILAT


INN
TRANDOLAPRILAT

(is an active metabolite)

cas 87679-71-8
CLASS

CARDIOVASCULAR
ANTIHYPERTENSIVE
ANGIOTENSIN-CONVERTING ENZYME (ACE) INHIBITORS
ROUTE (list)

-

ATC code

C09AA10
C09BB10
PK parameters

F 70 PERCENT
Tmax 7 HOUR
Cl 7 LITER / HOUR
PPB 65 PERCENT
t1/2 22.5 HOUR

Target

TARGET ANGIOTENSIN-CONVERTING ENZYME

PDB
2X93 (CRYSTAL STRUCTURE OF ANCE-TRANDOLAPRILAT COMPLEX)

Ligand code = X93 (link to the list of PDB complexes)

Download experimental 3D coordinates of X93 with added hydrogens

 DrugCentral

Angiotensin-converting enzyme UNIPROT P12821 ACE

 Download SDF file 1H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, (2S,3aR,7aS)-

Formula:
C22H30N2O5

Calculated chemical properties:

MW 400.46
NB_atoms 29
XLogP -0.37
PSA 99.966
NB_HD 1
NB_HA 7
fsp3 0.59
Lipinski(0=no;1=yes) 1

FDA
-

 Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL