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Compound Detail

CHEMBL277999

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O=C(O)[C@@H]1CCCN1C(=O)CP(=O)(O)CCCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL277999
Phase Preclinical
Structure Type MOL
InChI Key OVVFJXPYMIMYNK-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
2.36
ALogP
3
HBA
2
HBD
94.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24NO5P
MW 353.36
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.17

Activity Summary

Ki 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL4074
 Ki 7.82 7.82 15.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme Ki = 15.0 nM 7.82 Inhibitory activity against rabbit lung angiotensin-1 converting enzyme 2836590

Literature References

PubMed DOI Target Context # Activities
2836590 10.1021/jm00401a014 Rattus norvegicus 6
2836590 10.1021/jm00401a014 Angiotensin-converting enzyme 2

Data from ChEMBL 36 via Core Engine