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Compound Detail

CHEMBL100966

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CCCCCCCC[C@H](N[C@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100966
Phase Preclinical
Structure Type MOL
InChI Key UERNDUXVRTZBPS-RDBSUJKOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
1.52
ALogP
5
HBA
3
HBD
127.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H31N3O6
MW 385.46
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 0.22

Activity Summary

IC50 1 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin-converting enzyme
CHEMBL1808
 IC50 5.62 5.62 2400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin-converting enzyme IC50 = 2400.0 nM 5.62 Inhibition of Angiotensin I converting enzyme from pig renal cortex, hippuryl-hi... 2913292

Literature References

PubMed DOI Target Context # Activities
2913292 10.1021/jm00122a003 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine