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Compound Detail

CHEMBL409713

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C[C@H](CP(=O)(O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL409713
Phase Preclinical
Structure Type MOL
InChI Key WUBYQBSYTLBAMD-OCCSQVGLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.3
MW (Da)
2.74
ALogP
4
HBA
2
HBD
104.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22NO6P
MW 355.33
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.02

Activity Summary

Ki 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme 2
CHEMBL3736
 Ki 5.52 5.52 3000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme 2 Ki = 3000.0 nM 5.52 Inhibition of ACE2 18324760

Literature References

PubMed DOI Target Context # Activities
18324760 10.1021/jm701275z Angiotensin-converting enzyme 2 1

Data from ChEMBL 36 via Core Engine