Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL577

ENALAPRILAT ANHYDROUS
💊 Approved Drug
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
💊 Approved Drug
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL577
Name ENALAPRILAT ANHYDROUS
Phase Approved
Structure Type MOL
InChI Key LZFZMUMEGBBDTC-QEJZJMRPSA-N
Therapeutic ✓ Yes

Known Names

Enalaprilat anhydrous
5
Targets
26
Activities
2
Assay Types
9
PK Parameters
20
Publications
1
Known Names

Molecular Properties

348.4
MW (Da)
1.13
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1988
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Parenteral

Flags

Black Box Warning Natural Product
USAN Stem -pril-
USAN Year 1984

Extended Properties

Molecular Formula C18H24N2O5
MW 348.40
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.14

Activity Summary

IC50 24 meas. best 9.02
Ki 2 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme 2
CHEMBL2311
 Ki 9.3 9.3 0.5 1
Angiotensin-converting enzyme
CHEMBL2625
 IC50 9.02 8.52 0.9 4
Angiotensin-converting enzyme
CHEMBL1808
 IC50 8.92 8.4817 1.2 12
Angiotensin-converting enzyme
CHEMBL4074
 IC50 8.92 8.345 1.2 6
Angiotensin-converting enzyme
CHEMBL4074
 Ki 8.85 8.85 1.4 1
Angiotensin-converting enzyme
CHEMBL2994
 IC50 7.94 7.94 11.5 1

Pharmacokinetic Data

Parameter Value Units Species
CL 1.6 mL.min-1.kg-1 Homo sapiens
CL 1.6 mL.min-1.kg-1 Homo sapiens
CL - mL.min-1.kg-1 Homo sapiens
CL 1.6 mL.min-1.kg-1 Homo sapiens
F 8.0 % Homo sapiens
Fu 0.62 - Homo sapiens
Fu 0.62 - Homo sapiens
MRT 4.0 hr Homo sapiens
T1/2 39.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme 2 Ki = 0.5 nM 9.3 Binding affinity towards Angiotensin I converting enzyme of rat brain IgG immobi... 2993614
Angiotensin-converting enzyme IC50 = 0.95 nM 9.02 Compound was tested for inhibitory activity against angiotensin I converting enz... 1992145
Angiotensin-converting enzyme IC50 = 1.2 nM 8.92 Inhibition of Angiotensin I converting enzyme 8340909
Angiotensin-converting enzyme IC50 = 1.2 nM 8.92 In vitro inhibitory activity against Angiotensin I converting enzyme 2984419
Angiotensin-converting enzyme IC50 = 1.2 nM 8.92 Inhibitory concentration against Angiotensin I converting enzyme 3005569
Angiotensin-converting enzyme IC50 = 1.2 nM 8.92 In vitro inhibition of Angiotensin I converting enzyme in Hog plasma 2160536
Angiotensin-converting enzyme IC50 = 1.2 nM 8.92 In vitro activity against angiotensin I converting enzyme especially against Hip... 1995891
Angiotensin-converting enzyme IC50 = 1.2 nM 8.92 Inhibition of Angiotensin I converting enzyme (ACE) in Bothrops jararaca venom 12477342
Angiotensin-converting enzyme IC50 = 1.2 nM 8.92 Inhibition of angiotensin-converting enzyme (unknown origin) 27690430
Angiotensin-converting enzyme Ki = 1.4 nM 8.85 Inhibitory activity against rabbit lung angiotensin-1 converting enzyme 2836590
Angiotensin-converting enzyme IC50 = 2.3 nM 8.64 Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as sy... 3035180
Angiotensin-converting enzyme IC50 = 2.4 nM 8.62 Inhibition of guinea pig angiotensin I converting enzyme 3020249
Angiotensin-converting enzyme IC50 = 2.5 nM 8.6 Inhibition of human plasma ACE 28442252
Angiotensin-converting enzyme IC50 = 2.6 nM 8.59 Compound tested in vitro for inhibition of Angiotensin I converting enzyme 2544729
Angiotensin-converting enzyme IC50 = 2.9 nM 8.54 Inhibition of Angiotensin I converting enzyme from pig renal cortex, hippuryl-hi... 2913292
Angiotensin-converting enzyme IC50 = 3.981 nM 8.4 Inhibition of angiotensin I converting enzyme in silico 9379435
Angiotensin-converting enzyme IC50 = 4.0 nM 8.4 In vitro inhibitory activity against angiotensin I converting enzyme of rats. 2836590
Angiotensin-converting enzyme IC50 = 4.3 nM 8.37 In vitro inhibition of angiotensin I converting enzyme in rabbit lung with hippu... 3336020
Angiotensin-converting enzyme IC50 = 5.7 nM 8.24 Inhibitory activity against rabbit lung Angiotensin I converting enzyme with 5 m... 3669006
Angiotensin-converting enzyme IC50 = 5.8 nM 8.24 In vitro inhibition of Angiotensin I converting enzyme in rabbit lung 2160536

Literature References

PubMed DOI Target Context # Activities
32940035 10.1021/acs.jmedchem.0c01541 No relevant target 15
20070106 10.1021/jm901371v Homo sapiens 8
3020249 10.1021/jm00160a026 Rattus norvegicus 8
9836611 10.1021/jm9810102 No relevant target 7
2836590 10.1021/jm00401a014 Rattus norvegicus 5
2160536 10.1021/jm00168a013 Angiotensin-converting enzyme 5
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
18426954 10.1124/dmd.108.020479 ADMET 4
1992145 10.1021/jm00105a066 No relevant target 3
28442252 10.1016/j.bmcl.2017.04.036 Angiotensin-converting enzyme 3
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
20014752 10.1021/tx900326k Hepatotoxicity 3
28442252 10.1016/j.bmcl.2017.04.036 Plasma 3
28442252 10.1016/j.bmcl.2017.04.036 Dipeptidyl peptidase 4 3
20373811 10.1021/jm901846t No relevant target 3
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
2544729 10.1021/jm00127a033 Angiotensin-converting enzyme 2
3336020 10.1021/jm00396a033 Rattus norvegicus 2
2836590 10.1021/jm00401a014 Angiotensin-converting enzyme 2
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2

Data from ChEMBL 36 via Core Engine