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Compound Detail

CHEMBL96806

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NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL96806
Phase Preclinical
Structure Type MOL
InChI Key JLXVRFDTDUGQEE-YFKPBYRVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

231.3
MW (Da)
-2.43
ALogP
4
HBA
5
HBD
156.8
PSA (Ų)
0.19
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H17N5O3
MW 231.26
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.82

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine