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Compound Detail

CHEMBL16332

ZOFENOPRILAT
🧪 Phase II
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🧪 Phase II
C[C@H](CS)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O

Basic Information

ChEMBL ID CHEMBL16332
Name ZOFENOPRILAT
Phase Phase II
Structure Type MOL
InChI Key UQWLOWFDKAFKAP-WXHSDQCUSA-N

Known Names

Zofenoprilat
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
3
Publications
1
Known Names

Molecular Properties

325.4
MW (Da)
2.40
ALogP
4
HBA
2
HBD
57.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -pril-

Extended Properties

Molecular Formula C15H19NO3S2
MW 325.45
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.18

Activity Summary

IC50 1 meas. best 8.1
Ki 1 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL4074
Ki 9.4 9.4 0.4 1
Angiotensin-converting enzyme
CHEMBL2625
IC50 8.1 8.1 8.0 1

Pharmacokinetic Data

Parameter Value Units Species
F 79.0 % Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2836590 10.1021/jm00401a014 Angiotensin-converting enzyme 2
10891117 10.1021/jm0000564 No relevant target 2
10891117 10.1021/jm0000564 ADMET 2

Data from ChEMBL 36 via Core Engine