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Compound Detail

CHEMBL41045

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CCC[C@H](N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O)C(=O)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL41045
Phase Preclinical
Structure Type MOL
InChI Key OGYIBHXBSVMHGN-GJZGRUSLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
1.74
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26N2O5
MW 362.43
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
2999394 10.1021/jm00149a010 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine