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Compound Detail

CHEMBL581

FOSINOPRILAT
🧪 Phase II
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🧪 Phase II
O=C(O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CP(=O)(O)CCCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL581
Name FOSINOPRILAT
Phase Phase II
Structure Type MOL
InChI Key WOIWWYDXDVSWAZ-RTWAWAEBSA-N

Known Names

Fosfenopril Fosinopril diacid Fosinopril related compound a Fosinoprilat Fosinoprilic acid PU6BA2D2MD SO 27,519 SO-27519 SQ 27,519 SQ-27519
2
Targets
2
Activities
1
Assay Types
6
PK Parameters
11
Publications
10
Known Names

Molecular Properties

435.5
MW (Da)
4.16
ALogP
3
HBA
2
HBD
94.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem fos-; -pril-
USAN Year 1990

Extended Properties

Molecular Formula C23H34NO5P
MW 435.50
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 0.12

Activity Summary

Ki 2 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL1808
 Ki 8.82 8.82 1.5 1
Angiotensin-converting enzyme
CHEMBL4074
 Ki 8.82 8.82 1.5 1

Pharmacokinetic Data

Parameter Value Units Species
CL 0.32 mL.min-1.kg-1 Homo sapiens
CL 1.55 L/hr Homo sapiens
Fu 0.006 - Homo sapiens
MRT 6.8 hr Homo sapiens
T1/2 9.4 hr Homo sapiens
T1/2 12.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme Ki = 1.5 nM 8.82 Inhibitory activity against rabbit lung angiotensin-1 converting enzyme 2836590
Angiotensin-converting enzyme Ki = 1.5 nM 8.82 Inhibition of ACE 21780776

Literature References

PubMed DOI Target Context # Activities
2836590 10.1021/jm00401a014 Rattus norvegicus 5
18426954 10.1124/dmd.108.020479 ADMET 4
2836590 10.1021/jm00401a014 Angiotensin-converting enzyme 2
21780776 10.1021/jm200587f Homo sapiens 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
18426954 10.1124/dmd.108.020479 NON-PROTEIN TARGET 1
21780776 10.1021/jm200587f Angiotensin-converting enzyme 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine