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Compound Detail

CHEMBL110870

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CC(NP(=O)(O)O)C(=O)C1CCCC1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL110870
Phase Preclinical
Structure Type MOL
InChI Key FORHJELNQODCPU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

265.2
MW (Da)
0.13
ALogP
3
HBA
4
HBD
123.9
PSA (Ų)
0.52
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 C9H16NO6P
MW 265.20
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.55

Activity Summary

IC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL1808
 IC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 5.012 nM 8.3 Inhibition of angiotensin I converting enzyme in silico 9379435

Literature References

PubMed DOI Target Context # Activities
9379435 10.1021/jm970211n Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine