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Compound Detail

CHEMBL67253

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C[C@H](NP(=O)(O)CCCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL67253
Phase Preclinical
Structure Type MOL
InChI Key PNSSUQNKHFUKLM-HOCLYGCPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
2.25
ALogP
3
HBA
3
HBD
106.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H27N2O5P
MW 382.40
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.17

Activity Summary

IC50 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL4074
 IC50 7.92 7.92 12.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 12.0 nM 7.92 In vitro inhibition of angiotensin I converting enzyme in rabbit lung with hippu... 3336020

Literature References

PubMed DOI Target Context # Activities
3336020 10.1021/jm00396a033 Rattus norvegicus 2
3336020 10.1021/jm00396a033 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine