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Compound Detail

CHEMBL291636

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N=C(N)NCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL291636
Phase Preclinical
Structure Type MOL
InChI Key OZILORBBPKKGRI-RYUDHWBXSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
-0.61
ALogP
4
HBA
6
HBD
154.3
PSA (Ų)
0.20
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H23N5O3
MW 321.38
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.39

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2822931 10.1021/jm00394a033 Unchecked 1
7629809 10.1021/jm00014a022 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine