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Compound Detail

CHEMBL34402

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COP(=O)([O-])N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-].[K+].[K+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL34402
Phase Preclinical
Structure Type MOL
InChI Key ROSHQKWCEDXPHH-JFYKYWLVSA-L
Parent Compound CHEMBL1204907
Active Moiety CHEMBL1204907
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.2
MW (Da)
-0.21
ALogP
4
HBA
3
HBD
116.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H15K2N2O6P
MW 356.40
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness -0.03

Activity Summary

Ki 1 meas. best 8.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL4074
 Ki 8.59 8.59 2.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme Ki = 2.6 nM 8.59 Inhibition of Angiotensin I converting enzyme from rabbit lungs at pH 7.5 2995664

Literature References

PubMed DOI Target Context # Activities
2995664 10.1021/jm00148a008 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine